(2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide

C31H31N3O3 — CID 57038664

IUPAC(2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](Cc2ccc(N)cc2)C(N)=O)cc1
InChIInChI=1S/C31H31N3O3/c1-37-27-18-14-23(15-19-27)21-34(28(30(33)35)20-22-12-16-26(32)17-13-22)31(36)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-19,28-29H,20-21,32H2,1H3,(H2,33,35)/t28-/m1/s1
InChIKeyIRVBHPXSBMMBDD-MUUNZHRXSA-N
MW493.61 g/mol
LogP4.53
Rot. Bonds10

About (2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide

(2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 57038664) has the molecular formula C31H31N3O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is (2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID57038664
Molecular FormulaC31H31N3O3
Molecular Weight493.61 g/mol
Exact Mass493.24
IUPAC Name(2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](Cc2ccc(N)cc2)C(N)=O)cc1
InChIInChI=1S/C31H31N3O3/c1-37-27-18-14-23(15-19-27)21-34(28(30(33)35)20-22-12-16-26(32)17-13-22)31(36)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-19,28-29H,20-21,32H2,1H3,(H2,33,35)/t28-/m1/s1
InChIKeyIRVBHPXSBMMBDD-MUUNZHRXSA-N
XLogP4.53
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]butanamide
CID 57156147
(2R)-4-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]butanamide;hydrochloride
CID 70280504
(2R)-3-[4-[(cyanoamino)methylideneamino]phenyl]-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide
CID 57076474
(2R)-5-(aminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]pentanamide;hydrochloride
CID 70280051
(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]hexanamide;2,2,2-trifluoroacetic acid
CID 70280560
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
[(2S)-1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-benzylcarbamic acid
CID 66968639
(2R)-5-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide
CID 54167269
ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118271747
(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide
CID 57028880
methyl (2S)-2-[[(2S)-2-chloropropanoyl]-[(4-methoxyphenyl)methyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 56642546
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide (CID 57038664) is (2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide is COc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](Cc2ccc(N)cc2)C(N)=O)cc1.
What is the InChIKey of (2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is IRVBHPXSBMMBDD-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H31N3O3/c1-37-27-18-14-23(15-19-27)21-34(28(30(33)35)20-22-12-16-26(32)17-13-22)31(36)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-19,28-29H,20-21,32H2,1H3,(H2,33,35)/t28-/m1/s1.
What are the key properties of (2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide?
(2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 493.61 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 57038664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).