2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide

C22H37N3O3 — CID 7356424

IUPAC2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)C[C@H](C)CC(C)(C)C)ccc1N(C)C
InChIInChI=1S/C22H37N3O3/c1-16(15-22(2,3)4)13-20(26)24-17-9-10-19(25(5)6)18(14-17)21(27)23-11-8-12-28-7/h9-10,14,16H,8,11-13,15H2,1-7H3,(H,23,27)(H,24,26)/t16-/m0/s1
InChIKeyMXZYSNIRCXEDNM-INIZCTEOSA-N
MW391.56 g/mol
LogP3.92
Rot. Bonds10

About 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide

2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide (PubChem CID 7356424) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide
PubChem CID7356424
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)C[C@H](C)CC(C)(C)C)ccc1N(C)C
InChIInChI=1S/C22H37N3O3/c1-16(15-22(2,3)4)13-20(26)24-17-9-10-19(25(5)6)18(14-17)21(27)23-11-8-12-28-7/h9-10,14,16H,8,11-13,15H2,1-7H3,(H,23,27)(H,24,26)/t16-/m0/s1
InChIKeyMXZYSNIRCXEDNM-INIZCTEOSA-N
XLogP3.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42747432
2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
CID 3535205
2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 7356631
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525
N-[3-(dimethylamino)propyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 4302018
2-(dimethylamino)-N-(3-methoxypropyl)-5-(3-phenylprop-2-enoylamino)benzamide
CID 5160037
2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide
CID 3938181
dimethyl-[3-[[2-pyrrolidin-1-yl-5-[[(3S)-3,5,5-trimethylhexanoyl]amino]benzoyl]amino]propyl]azanium
CID 7129864
ethyl 4-[4-(dimethylamino)-3-(2-methoxyethylcarbamoyl)anilino]-4-oxobutanoate
CID 42747552

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide?
The IUPAC name of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide (CID 7356424) is 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide is COCCCNC(=O)c1cc(NC(=O)C[C@H](C)CC(C)(C)C)ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide?
The InChIKey is MXZYSNIRCXEDNM-INIZCTEOSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-16(15-22(2,3)4)13-20(26)24-17-9-10-19(25(5)6)18(14-17)21(27)23-11-8-12-28-7/h9-10,14,16H,8,11-13,15H2,1-7H3,(H,23,27)(H,24,26)/t16-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide?
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide has a molecular weight of 391.56 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide is sourced from PubChem (CID 7356424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).