N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide

C21H27N3O3 — CID 124849312

IUPACN-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide
SMILESCOC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(NC(C)=O)c1
InChIInChI=1S/C21H27N3O3/c1-16(25)23-19-11-7-10-18(12-19)14-22-21(26)24(2)20(15-27-3)13-17-8-5-4-6-9-17/h4-12,20H,13-15H2,1-3H3,(H,22,26)(H,23,25)/t20-/m0/s1
InChIKeyOKZOJZWBTLZUIE-FQEVSTJZSA-N
MW369.47 g/mol
LogP3.04
Rot. Bonds8

About N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide

N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide (PubChem CID 124849312) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide
PubChem CID124849312
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide
SMILESCOC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(NC(C)=O)c1
InChIInChI=1S/C21H27N3O3/c1-16(25)23-19-11-7-10-18(12-19)14-22-21(26)24(2)20(15-27-3)13-17-8-5-4-6-9-17/h4-12,20H,13-15H2,1-3H3,(H,22,26)(H,23,25)/t20-/m0/s1
InChIKeyOKZOJZWBTLZUIE-FQEVSTJZSA-N
XLogP3.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[(1-methoxy-3-phenylpropan-2-yl)-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 119045779
N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 56814248
1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea
CID 124843918
1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 119046241
3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea
CID 124851445
1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)urea
CID 124854418
(2S)-N-[(3-acetamidophenyl)methyl]-2-methoxy-2-phenylpropanamide
CID 95614299
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-[[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide
CID 110941954
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
cis-methyl (1S,2R)-2-[(1-methoxy-3-phenylpropan-2-yl)-methylcarbamoyl]cyclopropane-1-carboxylate
CID 119051181
N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide
CID 118883103

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide (CID 124849312) is N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide is COC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide?
The InChIKey is OKZOJZWBTLZUIE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16(25)23-19-11-7-10-18(12-19)14-22-21(26)24(2)20(15-27-3)13-17-8-5-4-6-9-17/h4-12,20H,13-15H2,1-3H3,(H,22,26)(H,23,25)/t20-/m0/s1.
What are the key properties of N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide?
N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 124849312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).