(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide

C26H26N4O4 — CID 34192223

IUPAC(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H26N4O4/c27-26(33)29-23(18-6-4-9-22(16-18)34-21-7-2-1-3-8-21)17-24(31)28-19-11-13-20(14-12-19)30-15-5-10-25(30)32/h1-4,6-9,11-14,16,23H,5,10,15,17H2,(H,28,31)(H3,27,29,33)/t23-/m1/s1
InChIKeyVSLAAYWMDFIHSA-HSZRJFAPSA-N
MW458.52 g/mol
LogP4.34
Rot. Bonds8

About (3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide

(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide (PubChem CID 34192223) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide
PubChem CID34192223
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H26N4O4/c27-26(33)29-23(18-6-4-9-22(16-18)34-21-7-2-1-3-8-21)17-24(31)28-19-11-13-20(14-12-19)30-15-5-10-25(30)32/h1-4,6-9,11-14,16,23H,5,10,15,17H2,(H,28,31)(H3,27,29,33)/t23-/m1/s1
InChIKeyVSLAAYWMDFIHSA-HSZRJFAPSA-N
XLogP4.34
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
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(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
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(3R)-3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-(3-phenoxyphenyl)propanamide
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(3S)-3-(carbamoylamino)-N-(3-methylsulfanylphenyl)-3-(3-phenoxyphenyl)propanamide
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N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
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2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337127
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
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(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide (CID 34192223) is (3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide is NC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide?
The InChIKey is VSLAAYWMDFIHSA-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26N4O4/c27-26(33)29-23(18-6-4-9-22(16-18)34-21-7-2-1-3-8-21)17-24(31)28-19-11-13-20(14-12-19)30-15-5-10-25(30)32/h1-4,6-9,11-14,16,23H,5,10,15,17H2,(H,28,31)(H3,27,29,33)/t23-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide?
(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide has a molecular weight of 458.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 34192223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).