2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide

C14H21ClN2O2 — CID 62473376

IUPAC2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-10(8-11-4-3-5-12(15)9-11)17-14(18)13(16)6-7-19-2/h3-5,9-10,13H,6-8,16H2,1-2H3,(H,17,18)
InChIKeyPVQUHIIXERDTSC-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.75
Rot. Bonds7

About 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide

2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide (PubChem CID 62473376) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide
PubChem CID62473376
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-10(8-11-4-3-5-12(15)9-11)17-14(18)13(16)6-7-19-2/h3-5,9-10,13H,6-8,16H2,1-2H3,(H,17,18)
InChIKeyPVQUHIIXERDTSC-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide
CID 60854385
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
(3-chlorophenyl)methyl 2-amino-4-methoxybutanoate
CID 65126822
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
CID 63008409
2-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 120702084
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate
CID 174512826
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
CID 63261191
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
(E)-4-[1-(3-chlorophenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54867885
N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid
CID 143691612

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide (CID 62473376) is 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide is COCCC(N)C(=O)NC(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide?
The InChIKey is PVQUHIIXERDTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(8-11-4-3-5-12(15)9-11)17-14(18)13(16)6-7-19-2/h3-5,9-10,13H,6-8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide?
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide has a molecular weight of 284.79 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide is sourced from PubChem (CID 62473376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).