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

C18H21N3O3 — CID 24901627

IUPAC(2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide
SMILESCc1ccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-2-6-14(7-3-12)24-15-8-4-13(5-9-15)21-17(22)11-10-16(19)18(20)23/h2-9,16H,10-11,19H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeySNPCQHHCCJNFNQ-INIZCTEOSA-N
MW327.38 g/mol
LogP2.32
Rot. Bonds7

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

(2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide (PubChem CID 24901627) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide
PubChem CID24901627
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide
SMILESCc1ccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-2-6-14(7-3-12)24-15-8-4-13(5-9-15)21-17(22)11-10-16(19)18(20)23/h2-9,16H,10-11,19H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeySNPCQHHCCJNFNQ-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

Sembragiline
CID 10246762
N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
CID 24768560
(S)-N-hydroxy-2-(isopropylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24956229
2-methyl-N-(4-phenoxyphenyl)propanamide
CID 874249
N-(4-methoxyphenyl)-2-phenylacetamide
CID 531989
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
(4S)-4-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoic acid
CID 24901600
methyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901605
tert-butyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901606
(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide
CID 24901607

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide?
The IUPAC name of (2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide (CID 24901627) is (2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide.
What is the SMILES notation for (2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide?
The canonical SMILES for (2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide is Cc1ccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)cc1.
What is the InChIKey of (2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide?
The InChIKey is SNPCQHHCCJNFNQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-2-6-14(7-3-12)24-15-8-4-13(5-9-15)21-17(22)11-10-16(19)18(20)23/h2-9,16H,10-11,19H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N'-[4-(4-methylphenoxy)phenyl]pentanediamide?
(2S)-2-amino-N'-[4-(4-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-(4-methylphenoxy)phenyl]pentanediamide is sourced from PubChem (CID 24901627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).