N-(4-chloropentyl)-3-methylbutanamide

C10H20ClNO — CID 106129611

IUPACN-(4-chloropentyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCC(C)Cl
InChIInChI=1S/C10H20ClNO/c1-8(2)7-10(13)12-6-4-5-9(3)11/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyATZYHFVCVUBBMY-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.56
Rot. Bonds6

About N-(4-chloropentyl)-3-methylbutanamide

N-(4-chloropentyl)-3-methylbutanamide (PubChem CID 106129611) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(4-chloropentyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-3-methylbutanamide
PubChem CID106129611
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(4-chloropentyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCC(C)Cl
InChIInChI=1S/C10H20ClNO/c1-8(2)7-10(13)12-6-4-5-9(3)11/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyATZYHFVCVUBBMY-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
3-methyl-N-(4-oxobutyl)butanamide;yttrium
CID 140577553
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
N-(4-azidobutyl)-3-methylbutanamide
CID 106386682
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide
CID 108538544
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271
N-(4-chloropentyl)-2-(thian-4-yl)acetamide
CID 106129807
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
N-(4-methylpentyl)propanamide
CID 54140551
N-[3-(cyclopropylamino)propyl]-3-methylbutanamide
CID 43596351

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-3-methylbutanamide?
The IUPAC name of N-(4-chloropentyl)-3-methylbutanamide (CID 106129611) is N-(4-chloropentyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-chloropentyl)-3-methylbutanamide?
The canonical SMILES for N-(4-chloropentyl)-3-methylbutanamide is CC(C)CC(=O)NCCCC(C)Cl.
What is the InChIKey of N-(4-chloropentyl)-3-methylbutanamide?
The InChIKey is ATZYHFVCVUBBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-8(2)7-10(13)12-6-4-5-9(3)11/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(4-chloropentyl)-3-methylbutanamide?
N-(4-chloropentyl)-3-methylbutanamide has a molecular weight of 205.73 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-3-methylbutanamide is sourced from PubChem (CID 106129611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).