(2S)-2-amino-N-(4-benzylphenyl)pentanediamide

C18H21N3O2 — CID 134586537

IUPAC(2S)-2-amino-N-(4-benzylphenyl)pentanediamide
SMILESNC(=O)CC[C@H](N)C(=O)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c19-16(10-11-17(20)22)18(23)21-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H2,20,22)(H,21,23)/t16-/m0/s1
InChIKeyIYJONGWDNLKDJJ-INIZCTEOSA-N
MW311.38 g/mol
LogP1.81
Rot. Bonds7

About (2S)-2-amino-N-(4-benzylphenyl)pentanediamide

(2S)-2-amino-N-(4-benzylphenyl)pentanediamide (PubChem CID 134586537) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-benzylphenyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-benzylphenyl)pentanediamide
PubChem CID134586537
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2S)-2-amino-N-(4-benzylphenyl)pentanediamide
SMILESNC(=O)CC[C@H](N)C(=O)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c19-16(10-11-17(20)22)18(23)21-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H2,20,22)(H,21,23)/t16-/m0/s1
InChIKeyIYJONGWDNLKDJJ-INIZCTEOSA-N
XLogP1.81
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-naphthalen-2-ylpentanediamide
CID 7020027
methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate
CID 157440518
(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide
CID 44588252
5-(4-acetamidoanilino)-4-amino-5-oxopentanoic acid
CID 64895797
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
(2S)-2-amino-N-(3-bromo-4-fluorophenyl)-4-phenylbutanamide
CID 104984797
(5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide
CID 134519915
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 175692315
(2S)-2-amino-N-[4-[[amino-[bis(2-chloroethyl)amino]phosphoryl]oxymethyl]phenyl]pentanediamide
CID 59248864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-benzylphenyl)pentanediamide?
The IUPAC name of (2S)-2-amino-N-(4-benzylphenyl)pentanediamide (CID 134586537) is (2S)-2-amino-N-(4-benzylphenyl)pentanediamide.
What is the SMILES notation for (2S)-2-amino-N-(4-benzylphenyl)pentanediamide?
The canonical SMILES for (2S)-2-amino-N-(4-benzylphenyl)pentanediamide is NC(=O)CC[C@H](N)C(=O)Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-(4-benzylphenyl)pentanediamide?
The InChIKey is IYJONGWDNLKDJJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-16(10-11-17(20)22)18(23)21-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H2,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-benzylphenyl)pentanediamide?
(2S)-2-amino-N-(4-benzylphenyl)pentanediamide has a molecular weight of 311.38 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-benzylphenyl)pentanediamide is sourced from PubChem (CID 134586537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).