(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide

C25H35N5O3 — CID 54260788

IUPAC(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide
SMILESNC(=O)[C@@H](CCCN=C(N)N)N(CCCCCO)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35N5O3/c26-23(32)21(15-10-16-29-25(27)28)30(17-8-3-9-18-31)24(33)22(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-2,4-7,11-14,21-22,31H,3,8-10,15-18H2,(H2,26,32)(H4,27,28,29)/t21-/m1/s1
InChIKeyRDIUXKUYHFABIN-OAQYLSRUSA-N
MW453.59 g/mol
LogP1.72
Rot. Bonds14

About (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide

(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide (PubChem CID 54260788) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide.

Molecular Properties

Compound Name(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide
PubChem CID54260788
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC Name(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide
SMILESNC(=O)[C@@H](CCCN=C(N)N)N(CCCCCO)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35N5O3/c26-23(32)21(15-10-16-29-25(27)28)30(17-8-3-9-18-31)24(33)22(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-2,4-7,11-14,21-22,31H,3,8-10,15-18H2,(H2,26,32)(H4,27,28,29)/t21-/m1/s1
InChIKeyRDIUXKUYHFABIN-OAQYLSRUSA-N
XLogP1.72
TPSA148.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(3-hydroxyphenyl)methyl]amino]pentanamide
CID 54233439
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[[2-[(sulfamoylamino)methyl]phenyl]methyl]amino]pentanamide
CID 67614949
5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(2-phenylphenyl)methyl]amino]pentanoic acid
CID 67810467
N'-[[3-[[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]butanediamide
CID 54556398
(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)-5-[[amino(nitramido)methylidene]amino]-2-[(2,2-diphenylacetyl)-(4-hydroxybut-2-ynyl)amino]pentanamide
CID 54347106
(2R)-4-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]butanamide
CID 57156147
5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
CID 18357243
2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(4-phenylphenyl)methyl]amino]pentanoyl]amino]acetic acid
CID 54572534
(2R)-2-amino-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide
CID 67015266
(2R)-4-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]butanamide;hydrochloride
CID 70280504

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide?
The IUPAC name of (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide (CID 54260788) is (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide.
What is the SMILES notation for (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide?
The canonical SMILES for (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide is NC(=O)[C@@H](CCCN=C(N)N)N(CCCCCO)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide?
The InChIKey is RDIUXKUYHFABIN-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H35N5O3/c26-23(32)21(15-10-16-29-25(27)28)30(17-8-3-9-18-31)24(33)22(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-2,4-7,11-14,21-22,31H,3,8-10,15-18H2,(H2,26,32)(H4,27,28,29)/t21-/m1/s1.
What are the key properties of (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide?
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide has a molecular weight of 453.59 g/mol, XLogP of 1.72, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-(5-hydroxypentyl)amino]pentanamide is sourced from PubChem (CID 54260788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).