N-(2-chloro-3-methoxypropyl)-2-methylpentanamide

C10H20ClNO2 — CID 114298733

IUPACN-(2-chloro-3-methoxypropyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(Cl)COC
InChIInChI=1S/C10H20ClNO2/c1-4-5-8(2)10(13)12-6-9(11)7-14-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyTXNPTEKDFAQKMY-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.79
Rot. Bonds7

About N-(2-chloro-3-methoxypropyl)-2-methylpentanamide

N-(2-chloro-3-methoxypropyl)-2-methylpentanamide (PubChem CID 114298733) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-methylpentanamide
PubChem CID114298733
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(Cl)COC
InChIInChI=1S/C10H20ClNO2/c1-4-5-8(2)10(13)12-6-9(11)7-14-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyTXNPTEKDFAQKMY-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.79
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

methyl 2-chloro-3-(2-methylpentanoylamino)propanoate
CID 103492896
N-(3-chloro-4-methoxybutyl)-2-methylbutanamide
CID 106244043
N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311002
N-(2,2-diethoxyethyl)-2-methylpentanamide
CID 79547187
N-(2-chloro-3-methoxypropyl)pentan-2-amine
CID 107887414
N-(2-chloro-3-methoxypropyl)-N,2-dimethylpentanamide
CID 63398166
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-2-methylpropanamide;hydrochloride
CID 120653578
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
2-methyl-N-prop-2-ynylpentanamide
CID 60707067

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2-methylpentanamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-methylpentanamide (CID 114298733) is N-(2-chloro-3-methoxypropyl)-2-methylpentanamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-methylpentanamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-methylpentanamide is CCCC(C)C(=O)NCC(Cl)COC.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-methylpentanamide?
The InChIKey is TXNPTEKDFAQKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-4-5-8(2)10(13)12-6-9(11)7-14-3/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-methylpentanamide?
N-(2-chloro-3-methoxypropyl)-2-methylpentanamide has a molecular weight of 221.73 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2-methylpentanamide is sourced from PubChem (CID 114298733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).