N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

C14H27N3O2 — CID 119615517

IUPACN-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NC(CN)C1CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)13(19)16-8-4-5-12(18)17-11(9-15)10-6-7-10/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyLJTWHKHOONSFOK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.78
Rot. Bonds7

About N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 119615517) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID119615517
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NC(CN)C1CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)13(19)16-8-4-5-12(18)17-11(9-15)10-6-7-10/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyLJTWHKHOONSFOK-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119614975
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
CID 122080634
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
N-(2-amino-1-cyclopentylethyl)-3-cyclohexylpropanamide
CID 106737712
methyl 2-[4-(2,2-dimethylpropanoylamino)butanoylamino]-3-methylbutanoate
CID 43422536
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid
CID 81362383
N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 43417934
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119523411
(2S,3R)-2-[4-(2,2-dimethylpropanoylamino)butanoylamino]-3-hydroxybutanoic acid
CID 104964489
N-(2-amino-1-cyclopropylethyl)-3-(2-methoxyethoxy)propanamide
CID 119617079

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 119615517) is N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)NC(CN)C1CC1.
What is the InChIKey of N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is LJTWHKHOONSFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)13(19)16-8-4-5-12(18)17-11(9-15)10-6-7-10/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119615517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).