2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide

C14H22N4O2 — CID 61341683

IUPAC2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C14H22N4O2/c1-9(2)17-13(19)8-16-14(20)18-12-6-4-5-11(7-12)10(3)15/h4-7,9-10H,8,15H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyCMRYUMOPRJJRDI-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.35
Rot. Bonds5

About 2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide

2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide (PubChem CID 61341683) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
PubChem CID61341683
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C14H22N4O2/c1-9(2)17-13(19)8-16-14(20)18-12-6-4-5-11(7-12)10(3)15/h4-7,9-10H,8,15H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyCMRYUMOPRJJRDI-UHFFFAOYSA-N
XLogP1.35
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
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-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
1-[3-(1-aminoethyl)phenyl]-3-(2,3,3-trimethylbutyl)urea
CID 83147014
1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea
CID 61341307
methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
CID 61341694
1-[3-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340525
1-[3-(1-aminoethyl)phenyl]-3-(6-methylheptan-2-yl)urea
CID 61471630
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 61340581
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
CID 49277700

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide (CID 61341683) is 2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)Nc1cccc(C(C)N)c1.
What is the InChIKey of 2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide?
The InChIKey is CMRYUMOPRJJRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)17-13(19)8-16-14(20)18-12-6-4-5-11(7-12)10(3)15/h4-7,9-10H,8,15H2,1-3H3,(H,17,19)(H2,16,18,20).
What are the key properties of 2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide?
2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide has a molecular weight of 278.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 61341683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).