N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide

C11H23N4O2P — CID 170621916

IUPACN-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(C(C)=O)C(CCC/N=C/N)C(=O)P
InChIInChI=1S/C11H23N4O2P/c1-9(16)15(7-6-13-2)10(11(17)18)4-3-5-14-8-12/h8,10,13H,3-7,18H2,1-2H3,(H2,12,14)
InChIKeyWMIXMNPBBJRYRA-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.41
Rot. Bonds9

About N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide

N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide (PubChem CID 170621916) has the molecular formula C11H23N4O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide
PubChem CID170621916
Molecular FormulaC11H23N4O2P
Molecular Weight274.30 g/mol
Exact Mass274.16
IUPAC NameN-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(C(C)=O)C(CCC/N=C/N)C(=O)P
InChIInChI=1S/C11H23N4O2P/c1-9(16)15(7-6-13-2)10(11(17)18)4-3-5-14-8-12/h8,10,13H,3-7,18H2,1-2H3,(H2,12,14)
InChIKeyWMIXMNPBBJRYRA-UHFFFAOYSA-N
XLogP-0.41
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide
CID 170621924
5-(aminomethylideneamino)-2-(methylamino)pentanoic acid
CID 178031591
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide
CID 177242165
(2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid
CID 54093376
N-[6-(aminomethylideneamino)-2-oxohexan-3-yl]-2-formamidoacetamide
CID 171544598
(2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid
CID 135218862
4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid
CID 64889359
2-methoxy-N-[2-(methylamino)ethyl]-N-propan-2-ylacetamide
CID 165447343
N-[2-(methylamino)ethyl]-N-(2-oxoethyl)acetamide
CID 118974935
N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide
CID 134406748
ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate
CID 64663599

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide (CID 170621916) is N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide is CNCCN(C(C)=O)C(CCC/N=C/N)C(=O)P.
What is the InChIKey of N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is WMIXMNPBBJRYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N4O2P/c1-9(16)15(7-6-13-2)10(11(17)18)4-3-5-14-8-12/h8,10,13H,3-7,18H2,1-2H3,(H2,12,14).
What are the key properties of N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide?
N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 274.30 g/mol, XLogP of -0.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethylideneamino)-1-oxo-1-phosphanylpentan-2-yl]-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 170621916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).