(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide

C18H21N3O3 — CID 24901607

IUPAC(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide
SMILESNC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c19-16(18(20)23)10-11-17(22)21-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeyPKTMQSKBGCPRGD-INIZCTEOSA-N
MW327.38 g/mol
LogP1.80
Rot. Bonds8

About (2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide

(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide (PubChem CID 24901607) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide
PubChem CID24901607
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide
SMILESNC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c19-16(18(20)23)10-11-17(22)21-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeyPKTMQSKBGCPRGD-INIZCTEOSA-N
XLogP1.80
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide?
The IUPAC name of (2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide (CID 24901607) is (2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide.
What is the SMILES notation for (2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide?
The canonical SMILES for (2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide is NC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide?
The InChIKey is PKTMQSKBGCPRGD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-16(18(20)23)10-11-17(22)21-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H2,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide?
(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide has a molecular weight of 327.38 g/mol, XLogP of 1.80, 8 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-phenylmethoxyphenyl)pentanediamide is sourced from PubChem (CID 24901607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).