4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide

C15H23N3O2 — CID 94158544

IUPAC4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide
SMILESCCc1ccc([C@@H](C)NC(=O)NCCCC(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-3-12-6-8-13(9-7-12)11(2)18-15(20)17-10-4-5-14(16)19/h6-9,11H,3-5,10H2,1-2H3,(H2,16,19)(H2,17,18,20)/t11-/m1/s1
InChIKeyOZODHNSGDSBRGM-LLVKDONJSA-N
MW277.37 g/mol
LogP1.87
Rot. Bonds7

About 4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide

4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide (PubChem CID 94158544) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide.

Molecular Properties

Compound Name4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide
PubChem CID94158544
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide
SMILESCCc1ccc([C@@H](C)NC(=O)NCCCC(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-3-12-6-8-13(9-7-12)11(2)18-15(20)17-10-4-5-14(16)19/h6-9,11H,3-5,10H2,1-2H3,(H2,16,19)(H2,17,18,20)/t11-/m1/s1
InChIKeyOZODHNSGDSBRGM-LLVKDONJSA-N
XLogP1.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea
CID 95568330
1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea
CID 127510643
4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]butanamide
CID 94157556
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108901615
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
4-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]carbamoylamino]butanoic acid
CID 122011640
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
1-[1-(4-ethylphenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56822950
5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 60662045

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide?
The IUPAC name of 4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide (CID 94158544) is 4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide.
What is the SMILES notation for 4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide?
The canonical SMILES for 4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide is CCc1ccc([C@@H](C)NC(=O)NCCCC(N)=O)cc1.
What is the InChIKey of 4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide?
The InChIKey is OZODHNSGDSBRGM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12-6-8-13(9-7-12)11(2)18-15(20)17-10-4-5-14(16)19/h6-9,11H,3-5,10H2,1-2H3,(H2,16,19)(H2,17,18,20)/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide?
4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide has a molecular weight of 277.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide is sourced from PubChem (CID 94158544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).