N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide

C11H19N3O2 — CID 78912815

IUPACN-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
SMILESC#CCNCC(=O)NC(C)C(=O)NCCC
InChIInChI=1S/C11H19N3O2/c1-4-6-12-8-10(15)14-9(3)11(16)13-7-5-2/h1,9,12H,5-8H2,2-3H3,(H,13,16)(H,14,15)
InChIKeyBUAHKFYAJGKWEN-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.76
Rot. Bonds7

About N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide

N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide (PubChem CID 78912815) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
PubChem CID78912815
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
SMILESC#CCNCC(=O)NC(C)C(=O)NCCC
InChIInChI=1S/C11H19N3O2/c1-4-6-12-8-10(15)14-9(3)11(16)13-7-5-2/h1,9,12H,5-8H2,2-3H3,(H,13,16)(H,14,15)
InChIKeyBUAHKFYAJGKWEN-UHFFFAOYSA-N
XLogP-0.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 104828232
(2R)-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79272201
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79270267
N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide
CID 79287630
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
CID 78912839
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
CID 62404547
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 8733082

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide?
The IUPAC name of N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide (CID 78912815) is N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide.
What is the SMILES notation for N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide?
The canonical SMILES for N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide is C#CCNCC(=O)NC(C)C(=O)NCCC.
What is the InChIKey of N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide?
The InChIKey is BUAHKFYAJGKWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-6-12-8-10(15)14-9(3)11(16)13-7-5-2/h1,9,12H,5-8H2,2-3H3,(H,13,16)(H,14,15).
What are the key properties of N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide?
N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide has a molecular weight of 225.29 g/mol, XLogP of -0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide is sourced from PubChem (CID 78912815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).