N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide

C12H21N3O2 — CID 79287630

IUPACN,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide
SMILESC#CCNCC(=O)NC(CC(C)C)C(=O)NC
InChIInChI=1S/C12H21N3O2/c1-5-6-14-8-11(16)15-10(7-9(2)3)12(17)13-4/h1,9-10,14H,6-8H2,2-4H3,(H,13,17)(H,15,16)
InChIKeyYZDLYDKAJGMUII-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.51
Rot. Bonds7

About N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide

N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide (PubChem CID 79287630) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide
PubChem CID79287630
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide
SMILESC#CCNCC(=O)NC(CC(C)C)C(=O)NC
InChIInChI=1S/C12H21N3O2/c1-5-6-14-8-11(16)15-10(7-9(2)3)12(17)13-4/h1,9-10,14H,6-8H2,2-4H3,(H,13,17)(H,15,16)
InChIKeyYZDLYDKAJGMUII-UHFFFAOYSA-N
XLogP-0.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.51
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

2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide
CID 142030552
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584
(2R)-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79272201
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 104828232
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
1-N,4-N-bis[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]benzene-1,4-dicarboxamide
CID 132534144
N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 78912815
N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79270267
2-methyl-6-[[2-(prop-2-ynylamino)acetyl]amino]heptanoic acid
CID 79271455
2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
CID 82848725

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide?
The IUPAC name of N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide (CID 79287630) is N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide.
What is the SMILES notation for N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide?
The canonical SMILES for N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide is C#CCNCC(=O)NC(CC(C)C)C(=O)NC.
What is the InChIKey of N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide?
The InChIKey is YZDLYDKAJGMUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-6-14-8-11(16)15-10(7-9(2)3)12(17)13-4/h1,9-10,14H,6-8H2,2-4H3,(H,13,17)(H,15,16).
What are the key properties of N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide?
N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide has a molecular weight of 239.32 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide is sourced from PubChem (CID 79287630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).