(2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride

C19H26ClN3O2 — CID 141009399

IUPAC(2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride
SMILESCC(N[C@@H](CCCN)C(N)=O)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-14(22-18(19(21)23)8-5-13-20)15-9-11-17(12-10-15)24-16-6-3-2-4-7-16;/h2-4,6-7,9-12,14,18,22H,5,8,13,20H2,1H3,(H2,21,23);1H/t14?,18-;/m0./s1
InChIKeyNIIHPXGRYQKMNX-XYGCWZSBSA-N
MW363.89 g/mol
LogP3.14
Rot. Bonds9

About (2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride

(2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride (PubChem CID 141009399) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is (2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride
PubChem CID141009399
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name(2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride
SMILESCC(N[C@@H](CCCN)C(N)=O)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-14(22-18(19(21)23)8-5-13-20)15-9-11-17(12-10-15)24-16-6-3-2-4-7-16;/h2-4,6-7,9-12,14,18,22H,5,8,13,20H2,1H3,(H2,21,23);1H/t14?,18-;/m0./s1
InChIKeyNIIHPXGRYQKMNX-XYGCWZSBSA-N
XLogP3.14
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride?
The IUPAC name of (2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride (CID 141009399) is (2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride?
The canonical SMILES for (2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride is CC(N[C@@H](CCCN)C(N)=O)c1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of (2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride?
The InChIKey is NIIHPXGRYQKMNX-XYGCWZSBSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c1-14(22-18(19(21)23)8-5-13-20)15-9-11-17(12-10-15)24-16-6-3-2-4-7-16;/h2-4,6-7,9-12,14,18,22H,5,8,13,20H2,1H3,(H2,21,23);1H/t14?,18-;/m0./s1.
What are the key properties of (2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride?
(2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 3.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride is sourced from PubChem (CID 141009399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).