2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide

C14H22N4O2 — CID 61340044

IUPAC2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C14H22N4O2/c1-3-8-16-13(19)9-17-14(20)18-12-6-4-11(5-7-12)10(2)15/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyJIZIVLMBFKTBNP-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.35
Rot. Bonds6

About 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide

2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide (PubChem CID 61340044) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide
PubChem CID61340044
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C14H22N4O2/c1-3-8-16-13(19)9-17-14(20)18-12-6-4-11(5-7-12)10(2)15/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyJIZIVLMBFKTBNP-UHFFFAOYSA-N
XLogP1.35
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340704
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61341674
1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfinylethyl)urea
CID 113480473
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
1-[4-(1-aminoethyl)phenyl]-3-(3-methylsulfanylpropyl)urea
CID 63963555
1-[4-(1-aminoethyl)phenyl]-3-(2-methyl-2-methylsulfonylpropyl)urea
CID 79558826
2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide
CID 43567574
2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid
CID 63653190
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea
CID 114943944

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide?
The IUPAC name of 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide (CID 61340044) is 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide?
The canonical SMILES for 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide is CCCNC(=O)CNC(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide?
The InChIKey is JIZIVLMBFKTBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-8-16-13(19)9-17-14(20)18-12-6-4-11(5-7-12)10(2)15/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide?
2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide has a molecular weight of 278.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide is sourced from PubChem (CID 61340044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).