(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide

C27H31N3O3 — CID 57028880

IUPAC(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide
SMILESNCCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31N3O3/c28-18-8-7-13-24(26(29)32)30(19-20-14-16-23(31)17-15-20)27(33)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,14-17,24-25,31H,7-8,13,18-19,28H2,(H2,29,32)/t24-/m1/s1
InChIKeyHNKOMZYMHHWHQC-XMMPIXPASA-N
MW445.56 g/mol
LogP3.54
Rot. Bonds11

About (2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide

(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide (PubChem CID 57028880) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is (2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide.

Molecular Properties

Compound Name(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide
PubChem CID57028880
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide
SMILESNCCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31N3O3/c28-18-8-7-13-24(26(29)32)30(19-20-14-16-23(31)17-15-20)27(33)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,14-17,24-25,31H,7-8,13,18-19,28H2,(H2,29,32)/t24-/m1/s1
InChIKeyHNKOMZYMHHWHQC-XMMPIXPASA-N
XLogP3.54
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.54
H-Bond Donors ≤ 53
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)-5-(carbamoylamino)-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide
CID 57050076
(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]hexanamide;2,2,2-trifluoroacetic acid
CID 70280560
benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate
CID 67793119
(2S)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(3-hydroxyphenyl)methyl]amino]pentanamide
CID 54233439
(2R)-5-(aminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]pentanamide;hydrochloride
CID 70280051
[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-[carbamimidoyl-(2,2-diphenylacetyl)amino]-2-[(4-hydroxyphenyl)methyl-methylamino]pentanamide
CID 54226546
(2R)-4-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]butanamide;hydrochloride
CID 70280504
(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2,2-diphenylacetyl)-[2-(4-hydroxyphenyl)ethyl]amino]pentanamide
CID 57124452
ethyl N-[[4-[[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-(2,2-diphenylacetyl)amino]methyl]phenyl]methylcarbamoyl]carbamate
CID 54514770
(2R)-3-(4-aminophenyl)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]propanamide
CID 57038664

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide?
The IUPAC name of (2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide (CID 57028880) is (2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide.
What is the SMILES notation for (2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide?
The canonical SMILES for (2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide is NCCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide?
The InChIKey is HNKOMZYMHHWHQC-XMMPIXPASA-N. The full InChI is InChI=1S/C27H31N3O3/c28-18-8-7-13-24(26(29)32)30(19-20-14-16-23(31)17-15-20)27(33)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,14-17,24-25,31H,7-8,13,18-19,28H2,(H2,29,32)/t24-/m1/s1.
What are the key properties of (2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide?
(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide has a molecular weight of 445.56 g/mol, XLogP of 3.54, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide is sourced from PubChem (CID 57028880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).