N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide

C14H15N3O4 — CID 62923888

IUPACN,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C14H15N3O4/c15-12(19)8-17(9-13(16)20)14(21)11-5-3-10(4-6-11)2-1-7-18/h3-6,18H,7-9H2,(H2,15,19)(H2,16,20)
InChIKeySYBPEEWGSBQVPQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP-1.56
Rot. Bonds5

About N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide

N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 62923888) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID62923888
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C14H15N3O4/c15-12(19)8-17(9-13(16)20)14(21)11-5-3-10(4-6-11)2-1-7-18/h3-6,18H,7-9H2,(H2,15,19)(H2,16,20)
InChIKeySYBPEEWGSBQVPQ-UHFFFAOYSA-N
XLogP-1.56
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide (CID 62923888) is N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide is NC(=O)CN(CC(N)=O)C(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is SYBPEEWGSBQVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c15-12(19)8-17(9-13(16)20)14(21)11-5-3-10(4-6-11)2-1-7-18/h3-6,18H,7-9H2,(H2,15,19)(H2,16,20).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 289.29 g/mol, XLogP of -1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 62923888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).