N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide

C16H24ClNO2 — CID 106183441

IUPACN-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NC(CCl)COC)c1ccccc1
InChIInChI=1S/C16H24ClNO2/c1-4-12(2)15(13-8-6-5-7-9-13)16(19)18-14(10-17)11-20-3/h5-9,12,14-15H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyWYSNZFBYDKFKQT-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.19
Rot. Bonds8

About N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide

N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide (PubChem CID 106183441) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide
PubChem CID106183441
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NC(CCl)COC)c1ccccc1
InChIInChI=1S/C16H24ClNO2/c1-4-12(2)15(13-8-6-5-7-9-13)16(19)18-14(10-17)11-20-3/h5-9,12,14-15H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyWYSNZFBYDKFKQT-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide
CID 106182256
N-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
N-(3-chloro-2-methylpropyl)-3-methyl-2-phenylpentanamide
CID 114302680
N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide
CID 114310573
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-phenylpentanamide
CID 82990815
(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
CID 104897960
3-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 78775690
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-phenylpentanamide
CID 65188547
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
N-(3-bromobutyl)-3-methyl-2-phenylpentanamide
CID 114312530

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide (CID 106183441) is N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)NC(CCl)COC)c1ccccc1.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide?
The InChIKey is WYSNZFBYDKFKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-12(2)15(13-8-6-5-7-9-13)16(19)18-14(10-17)11-20-3/h5-9,12,14-15H,4,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide?
N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide has a molecular weight of 297.83 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 106183441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).