N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide

C19H23N3O3 — CID 47033004

IUPACN-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(15-7-5-4-6-8-15)12-20-19(24)22-17-11-16(21-14(2)23)9-10-18(17)25-3/h4-11,13H,12H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeySMMHQCHPPHEURX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.58
Rot. Bonds6

About N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide

N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide (PubChem CID 47033004) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
PubChem CID47033004
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(15-7-5-4-6-8-15)12-20-19(24)22-17-11-16(21-14(2)23)9-10-18(17)25-3/h4-11,13H,12H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeySMMHQCHPPHEURX-UHFFFAOYSA-N
XLogP3.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
CID 51944503
N-[4-methoxy-3-[(2-methyl-1-phenylpropyl)carbamoylamino]phenyl]acetamide
CID 47033000
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
CID 47016124
N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 72854483
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide
CID 43739518
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 47033008

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide (CID 47033004) is N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)NCC(C)c1ccccc1.
What is the InChIKey of N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide?
The InChIKey is SMMHQCHPPHEURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(15-7-5-4-6-8-15)12-20-19(24)22-17-11-16(21-14(2)23)9-10-18(17)25-3/h4-11,13H,12H2,1-3H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide?
N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 47033004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).