N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide

C20H25N3O3 — CID 52505928

IUPACN-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14(9-10-16-7-5-4-6-8-16)21-20(25)23-18-13-17(22-15(2)24)11-12-19(18)26-3/h4-8,11-14H,9-10H2,1-3H3,(H,22,24)(H2,21,23,25)/t14-/m1/s1
InChIKeySGNYCZBGPHMGTI-CQSZACIVSA-N
MW355.44 g/mol
LogP3.80
Rot. Bonds7

About N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide

N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide (PubChem CID 52505928) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
PubChem CID52505928
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14(9-10-16-7-5-4-6-8-16)21-20(25)23-18-13-17(22-15(2)24)11-12-19(18)26-3/h4-8,11-14H,9-10H2,1-3H3,(H,22,24)(H2,21,23,25)/t14-/m1/s1
InChIKeySGNYCZBGPHMGTI-CQSZACIVSA-N
XLogP3.80
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[4-methoxy-3-[(2-methyl-1-phenylpropyl)carbamoylamino]phenyl]acetamide
CID 47033000
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide
CID 95775570
N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
CID 47033004
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443
1-(3,4-dimethoxyphenyl)-3-(4-phenylbutan-2-yl)thiourea
CID 19651838
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
CID 60543351
2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945466
2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
CID 2554170

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide (CID 52505928) is N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide?
The InChIKey is SGNYCZBGPHMGTI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(9-10-16-7-5-4-6-8-16)21-20(25)23-18-13-17(22-15(2)24)11-12-19(18)26-3/h4-8,11-14H,9-10H2,1-3H3,(H,22,24)(H2,21,23,25)/t14-/m1/s1.
What are the key properties of N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide?
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 52505928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).