(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide

C21H25N3O3 — CID 9215141

IUPAC(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)N[C@@H](CC(=O)NC1CCCC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H25N3O3/c22-21(26)24-19(14-20(25)23-16-8-4-5-9-16)15-7-6-12-18(13-15)27-17-10-2-1-3-11-17/h1-3,6-7,10-13,16,19H,4-5,8-9,14H2,(H,23,25)(H3,22,24,26)/t19-/m0/s1
InChIKeyWSEASBGLCRUYBS-IBGZPJMESA-N
MW367.45 g/mol
LogP3.64
Rot. Bonds7

About (3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide

(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide (PubChem CID 9215141) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
PubChem CID9215141
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)N[C@@H](CC(=O)NC1CCCC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H25N3O3/c22-21(26)24-19(14-20(25)23-16-8-4-5-9-16)15-7-6-12-18(13-15)27-17-10-2-1-3-11-17/h1-3,6-7,10-13,16,19H,4-5,8-9,14H2,(H,23,25)(H3,22,24,26)/t19-/m0/s1
InChIKeyWSEASBGLCRUYBS-IBGZPJMESA-N
XLogP3.64
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide
CID 43005467
3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450732
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
CID 32704367
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
N-[3-(aminomethyl)pentan-3-yl]-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119569555
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253
[(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea
CID 9333202
(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9213620

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide (CID 9215141) is (3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide is NC(=O)N[C@@H](CC(=O)NC1CCCC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide?
The InChIKey is WSEASBGLCRUYBS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O3/c22-21(26)24-19(14-20(25)23-16-8-4-5-9-16)15-7-6-12-18(13-15)27-17-10-2-1-3-11-17/h1-3,6-7,10-13,16,19H,4-5,8-9,14H2,(H,23,25)(H3,22,24,26)/t19-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide?
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 9215141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).