N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide

C14H22N4O2 — CID 120649030

IUPACN-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide
SMILESCC(NC(N)=O)C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C14H22N4O2/c1-11(17-14(16)20)13(19)18(9-5-8-15)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,15H2,1H3,(H3,16,17,20)
InChIKeyJBCJNQGUPDSOBO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.42
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide

N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide (PubChem CID 120649030) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide
PubChem CID120649030
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide
SMILESCC(NC(N)=O)C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C14H22N4O2/c1-11(17-14(16)20)13(19)18(9-5-8-15)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,15H2,1H3,(H3,16,17,20)
InChIKeyJBCJNQGUPDSOBO-UHFFFAOYSA-N
XLogP0.42
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679
N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120649189
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
CID 120648412
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 94797374
N-(3-aminopropyl)-N-benzyl-3-(2-methylphenyl)butanamide
CID 120649780
4-[benzyl-[2-(furan-2-carbonylamino)propanoyl]amino]butanoic acid
CID 120536344
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
CID 120648074
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide (CID 120649030) is N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide is CC(NC(N)=O)C(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide?
The InChIKey is JBCJNQGUPDSOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(17-14(16)20)13(19)18(9-5-8-15)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,15H2,1H3,(H3,16,17,20).
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide?
N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide has a molecular weight of 278.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide is sourced from PubChem (CID 120649030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).