(2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide

C27H30N4O4 — CID 57050076

IUPAC(2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide
SMILESNC(=O)NCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N4O4/c28-25(33)23(12-7-17-30-27(29)35)31(18-19-13-15-22(32)16-14-19)26(34)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,32H,7,12,17-18H2,(H2,28,33)(H3,29,30,35)/t23-/m1/s1
InChIKeyIEUIHVHUVWVJIX-HSZRJFAPSA-N
MW474.56 g/mol
LogP2.86
Rot. Bonds11

About (2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide

(2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide (PubChem CID 57050076) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is (2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide.

Molecular Properties

Compound Name(2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide
PubChem CID57050076
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name(2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide
SMILESNC(=O)NCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N4O4/c28-25(33)23(12-7-17-30-27(29)35)31(18-19-13-15-22(32)16-14-19)26(34)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,32H,7,12,17-18H2,(H2,28,33)(H3,29,30,35)/t23-/m1/s1
InChIKeyIEUIHVHUVWVJIX-HSZRJFAPSA-N
XLogP2.86
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide
CID 54167269
(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide
CID 57028880
(2S)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(3-hydroxyphenyl)methyl]amino]pentanamide
CID 54233439
tert-butyl N-[(4R)-5-amino-4-[(4-amino-3,5-dichlorophenyl)methyl-(2,2-diphenylacetyl)amino]-5-oxopentyl]carbamate
CID 57227911
benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate
CID 67793119
(2R)-2-[(4-amino-3,5-dibromophenyl)methyl-(2,2-diphenylacetyl)amino]-5-[(N'-nitrocarbamimidoyl)amino]pentanamide
CID 139693066
[4-[[[(2R)-1-amino-5-[[amino(nitramido)methylidene]amino]-1-oxopentan-2-yl]-(2,2-diphenylacetyl)amino]methyl]phenyl]methyl carbamate
CID 54198927
(2R)-5-(aminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]pentanamide;hydrochloride
CID 70280051
(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2,2-diphenylacetyl)-[2-(4-hydroxyphenyl)ethyl]amino]pentanamide
CID 57124452
(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]hexanamide;2,2,2-trifluoroacetic acid
CID 70280560
ethyl N-[[4-[[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-(2,2-diphenylacetyl)amino]methyl]phenyl]methylcarbamoyl]carbamate
CID 54514770
(2R)-4-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]butanamide
CID 57156147

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide?
The IUPAC name of (2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide (CID 57050076) is (2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide.
What is the SMILES notation for (2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide?
The canonical SMILES for (2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide is NC(=O)NCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide?
The InChIKey is IEUIHVHUVWVJIX-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H30N4O4/c28-25(33)23(12-7-17-30-27(29)35)31(18-19-13-15-22(32)16-14-19)26(34)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,32H,7,12,17-18H2,(H2,28,33)(H3,29,30,35)/t23-/m1/s1.
What are the key properties of (2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide?
(2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide has a molecular weight of 474.56 g/mol, XLogP of 2.86, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide is sourced from PubChem (CID 57050076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).