(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide

C18H21N3O3 — CID 24901626

IUPAC(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide
SMILESCc1cccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)c1
InChIInChI=1S/C18H21N3O3/c1-12-3-2-4-15(11-12)24-14-7-5-13(6-8-14)21-17(22)10-9-16(19)18(20)23/h2-8,11,16H,9-10,19H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeyJZBKUKPJKVOVGL-INIZCTEOSA-N
MW327.38 g/mol
LogP2.32
Rot. Bonds7

About (2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide

(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide (PubChem CID 24901626) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide
PubChem CID24901626
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide
SMILESCc1cccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)c1
InChIInChI=1S/C18H21N3O3/c1-12-3-2-4-15(11-12)24-14-7-5-13(6-8-14)21-17(22)10-9-16(19)18(20)23/h2-8,11,16H,9-10,19H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeyJZBKUKPJKVOVGL-INIZCTEOSA-N
XLogP2.32
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
CID 2446291
4,5-diamino-N-(4-phenoxyphenyl)pentanamide
CID 74349728
2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide
CID 74349720
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid
CID 74349721
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
methyl (2S)-2-amino-5-oxo-5-[4-(4-pyrrol-1-ylphenoxy)anilino]pentanoate
CID 138657696
2-(2,5-dimethoxyphenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7581668
4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120558964
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
2-(2-fluorophenoxy)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7925120

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide?
The IUPAC name of (2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide (CID 24901626) is (2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide.
What is the SMILES notation for (2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide?
The canonical SMILES for (2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide is Cc1cccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)c1.
What is the InChIKey of (2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide?
The InChIKey is JZBKUKPJKVOVGL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-3-2-4-15(11-12)24-14-7-5-13(6-8-14)21-17(22)10-9-16(19)18(20)23/h2-8,11,16H,9-10,19H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide?
(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide has a molecular weight of 327.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide is sourced from PubChem (CID 24901626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).