2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride

C15H25Cl2N3O — CID 119899288

IUPAC2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride
SMILESCC(N)C(=O)Nc1ccccc1N(C)C1CCCC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-11(16)15(19)17-13-9-5-6-10-14(13)18(2)12-7-3-4-8-12;;/h5-6,9-12H,3-4,7-8,16H2,1-2H3,(H,17,19);2*1H
InChIKeyVSKKVGFNBUHUGA-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.19
Rot. Bonds4

About 2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride

2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride (PubChem CID 119899288) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride
PubChem CID119899288
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride
SMILESCC(N)C(=O)Nc1ccccc1N(C)C1CCCC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-11(16)15(19)17-13-9-5-6-10-14(13)18(2)12-7-3-4-8-12;;/h5-6,9-12H,3-4,7-8,16H2,1-2H3,(H,17,19);2*1H
InChIKeyVSKKVGFNBUHUGA-UHFFFAOYSA-N
XLogP3.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]pentanamide
CID 119899281
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015008
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]butanamide
CID 119899319
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119899295
4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid
CID 122086913
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
CID 120597455
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
3-[2-[cyclopentyl(methyl)amino]phenyl]-1-(4-hydroxy-2,2-dimethylbutyl)-1-methylurea
CID 75397403
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
2-[2-[cyclopentyl(methyl)amino]anilino]-N-methyl-N-phenylacetamide
CID 71849650

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride (CID 119899288) is 2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride is CC(N)C(=O)Nc1ccccc1N(C)C1CCCC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride?
The InChIKey is VSKKVGFNBUHUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-11(16)15(19)17-13-9-5-6-10-14(13)18(2)12-7-3-4-8-12;;/h5-6,9-12H,3-4,7-8,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride?
2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119899288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).