N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide

C15H27N3O4 — CID 11681185

IUPACN-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H]1CCCCCCCCCCC(=O)NNC1=O
InChIInChI=1S/C15H27N3O4/c19-12-18(22)11-13-9-7-5-3-1-2-4-6-8-10-14(20)16-17-15(13)21/h12-13,22H,1-11H2,(H,16,20)(H,17,21)/t13-/m0/s1
InChIKeyNCACQBHLUJICJN-ZDUSSCGKSA-N
MW313.40 g/mol
LogP1.51
Rot. Bonds3

About N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide

N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide (PubChem CID 11681185) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide
PubChem CID11681185
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC NameN-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H]1CCCCCCCCCCC(=O)NNC1=O
InChIInChI=1S/C15H27N3O4/c19-12-18(22)11-13-9-7-5-3-1-2-4-6-8-10-14(20)16-17-15(13)21/h12-13,22H,1-11H2,(H,16,20)(H,17,21)/t13-/m0/s1
InChIKeyNCACQBHLUJICJN-ZDUSSCGKSA-N
XLogP1.51
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide
CID 11212822
N-[4-[(2S,16R)-16-[[formyl(hydroxy)amino]methyl]-3,17-dioxo-1,4-diazacycloheptadec-2-yl]butyl]acetamide
CID 11316984
2-(hydroxymethyl)cycloheptan-1-one
CID 13140470
2-ethylcyclohexan-1-one;formic acid
CID 137364111
2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one
CID 71182369
2-(2-methylprop-2-enyl)cyclotridecan-1-one
CID 164771739
3-methylazonane-2,9-dione
CID 175922762
2-(2-methylidenecyclohexyl)acetaldehyde
CID 11344057
azepan-2-one;cyclohexylmethanol
CID 175528099
2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one
CID 79429302
2-(2-oxocyclohexyl)acetate
CID 21196476
1,1-bis(prop-2-enoxy)cyclohexane;2-prop-2-enylcyclohexan-1-one
CID 165014812

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide?
The IUPAC name of N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide (CID 11681185) is N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide.
What is the SMILES notation for N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide?
The canonical SMILES for N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide is O=CN(O)C[C@@H]1CCCCCCCCCCC(=O)NNC1=O.
What is the InChIKey of N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide?
The InChIKey is NCACQBHLUJICJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O4/c19-12-18(22)11-13-9-7-5-3-1-2-4-6-8-10-14(20)16-17-15(13)21/h12-13,22H,1-11H2,(H,16,20)(H,17,21)/t13-/m0/s1.
What are the key properties of N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide?
N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide has a molecular weight of 313.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide is sourced from PubChem (CID 11681185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).