[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid

C17H18N2O5 — CID 118588187

IUPAC[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid
SMILESCOc1cccc(Oc2ccc(NC(=O)[C@@H](C)NC(=O)O)cc2)c1
InChIInChI=1S/C17H18N2O5/c1-11(18-17(21)22)16(20)19-12-6-8-13(9-7-12)24-15-5-3-4-14(10-15)23-2/h3-11,18H,1-2H3,(H,19,20)(H,21,22)/t11-/m1/s1
InChIKeyDPCNFDKWPKPQPQ-LLVKDONJSA-N
MW330.34 g/mol
LogP3.08
Rot. Bonds6

About [(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid

[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 118588187) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is [(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid
PubChem CID118588187
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid
SMILESCOc1cccc(Oc2ccc(NC(=O)[C@@H](C)NC(=O)O)cc2)c1
InChIInChI=1S/C17H18N2O5/c1-11(18-17(21)22)16(20)19-12-6-8-13(9-7-12)24-15-5-3-4-14(10-15)23-2/h3-11,18H,1-2H3,(H,19,20)(H,21,22)/t11-/m1/s1
InChIKeyDPCNFDKWPKPQPQ-LLVKDONJSA-N
XLogP3.08
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
(2R)-2-(3,5-dimethoxyanilino)-N-phenylpropanamide
CID 40938038
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
[4-(3-methoxyphenoxy)phenyl]thiourea
CID 169356411
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
(2S)-2-amino-N-[4-(3-methoxyphenoxy)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119298693
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
CID 43905180
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid (CID 118588187) is [(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid is COc1cccc(Oc2ccc(NC(=O)[C@@H](C)NC(=O)O)cc2)c1.
What is the InChIKey of [(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is DPCNFDKWPKPQPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11(18-17(21)22)16(20)19-12-6-8-13(9-7-12)24-15-5-3-4-14(10-15)23-2/h3-11,18H,1-2H3,(H,19,20)(H,21,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid?
[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 330.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 118588187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).