N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide

C25H37N5O6 — CID 154813272

IUPACN-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide
SMILESCN(C)[C@@H]1CCN2C(=O)CN(CCNC(=O)c3ccccc3)C(=O)COCCOCCNC(=O)[C@H]2C1
InChIInChI=1S/C25H37N5O6/c1-28(2)20-8-11-30-21(16-20)25(34)27-10-13-35-14-15-36-18-23(32)29(17-22(30)31)12-9-26-24(33)19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3,(H,26,33)(H,27,34)/t20-,21-/m1/s1
InChIKeyPZSCDSQBDGWDPM-NHCUHLMSSA-N
MW503.60 g/mol
LogP-0.67
Rot. Bonds5

About N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide

N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide (PubChem CID 154813272) has the molecular formula C25H37N5O6 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide
PubChem CID154813272
Molecular FormulaC25H37N5O6
Molecular Weight503.60 g/mol
Exact Mass503.27
IUPAC NameN-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide
SMILESCN(C)[C@@H]1CCN2C(=O)CN(CCNC(=O)c3ccccc3)C(=O)COCCOCCNC(=O)[C@H]2C1
InChIInChI=1S/C25H37N5O6/c1-28(2)20-8-11-30-21(16-20)25(34)27-10-13-35-14-15-36-18-23(32)29(17-22(30)31)12-9-26-24(33)19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3,(H,26,33)(H,27,34)/t20-,21-/m1/s1
InChIKeyPZSCDSQBDGWDPM-NHCUHLMSSA-N
XLogP-0.67
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide with MolForge

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Related Compounds

N-[2-[(15S,17S)-17-(oxan-4-ylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.3.0]octadecan-4-yl]ethyl]benzamide
CID 146116339
3,3-dimethyl-N-[2-[(15S,17R)-2,5,14-trioxo-17-[(2-phenoxyacetyl)amino]-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]butanamide
CID 154813278
N-[2-[(15S,16R)-16-[(3-methoxyphenyl)methylamino]-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.3.0]octadecan-4-yl]ethyl]benzamide
CID 146116422
N-[2-[(15S,17S)-17-[(1-methylpiperidin-4-yl)amino]-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.3.0]octadecan-4-yl]ethyl]-2-phenoxyacetamide
CID 146116344
N-[2-[(11R)-11-[(1-benzyltriazol-4-yl)methyl]-6,9,12-trioxo-1,4-dioxa-7,10,13-triazacyclopentadec-7-yl]ethyl]benzamide
CID 146116297
3-(dimethylamino)-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide
CID 110743626
N-[2-(3-oxomorpholin-4-yl)ethyl]pyridine-3-carboxamide
CID 110722595
N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110743625
N-benzyl-2-[(1R,6S,8S,22S)-3,9,18-trioxo-6-(propan-2-ylamino)-13,16-dioxa-4,10,19-triazatricyclo[17.3.1.04,8]tricosan-22-yl]acetamide
CID 146116380
N-[4-[(4S,11S,13R)-13-(cyclopentylamino)-2,6,10-trioxospiro[1,5,9-triazabicyclo[9.4.0]pentadecane-7,4'-oxane]-4-yl]butyl]benzamide
CID 154814026
2-phenoxy-N-[(1S,6R,7S)-2,8,17-trioxo-21-propan-2-yl-12,15-dioxa-3,9,18,21-tetrazatricyclo[16.4.0.03,7]docosan-6-yl]acetamide
CID 146116268
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide
CID 110442921

Frequently Asked Questions

What is the IUPAC name of N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide?
The IUPAC name of N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide (CID 154813272) is N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide is CN(C)[C@@H]1CCN2C(=O)CN(CCNC(=O)c3ccccc3)C(=O)COCCOCCNC(=O)[C@H]2C1.
What is the InChIKey of N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide?
The InChIKey is PZSCDSQBDGWDPM-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H37N5O6/c1-28(2)20-8-11-30-21(16-20)25(34)27-10-13-35-14-15-36-18-23(32)29(17-22(30)31)12-9-26-24(33)19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3,(H,26,33)(H,27,34)/t20-,21-/m1/s1.
What are the key properties of N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide?
N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide has a molecular weight of 503.60 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(15R,17R)-17-(dimethylamino)-2,5,14-trioxo-7,10-dioxa-1,4,13-triazabicyclo[13.4.0]nonadecan-4-yl]ethyl]benzamide is sourced from PubChem (CID 154813272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).