4-chloro-N,N-di(propan-2-yl)butanamide

C10H20ClNO — CID 11790362

IUPAC4-chloro-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)CCCCl)C(C)C
InChIInChI=1S/C10H20ClNO/c1-8(2)12(9(3)4)10(13)6-5-7-11/h8-9H,5-7H2,1-4H3
InChIKeyHOSYQMBAZLKTJR-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.65
Rot. Bonds5

About 4-chloro-N,N-di(propan-2-yl)butanamide

4-chloro-N,N-di(propan-2-yl)butanamide (PubChem CID 11790362) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 4-chloro-N,N-di(propan-2-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N,N-di(propan-2-yl)butanamide
PubChem CID11790362
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name4-chloro-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)CCCCl)C(C)C
InChIInChI=1S/C10H20ClNO/c1-8(2)12(9(3)4)10(13)6-5-7-11/h8-9H,5-7H2,1-4H3
InChIKeyHOSYQMBAZLKTJR-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N-bis(propan-2-yl)propanamide
CID 13345096
Propanamide, N,N-dibutyl-3-chloro-
CID 533190
4-Chloro-1-(2-methylpiperidin-1-yl)butan-1-one
CID 304101
Hexanamide, N,N-dibutyl-6-chloro-
CID 533342
Hexanamide, 6-chloro-N,N-diethyl-
CID 91693890
Hexanamide, 6-chloro-N-ethyl-N-butyl-
CID 91693896
Hexanamide, 6-chloro-N-ethyl-N-propyl-
CID 91693897
Hexanamide, 6-chloro-N-ethyl-N-pentyl-
CID 91693912
Hexanamide, 6-chloro-N-ethyl-N-hexyl-
CID 91693924
Hexanamide, 6-chloro-N-ethyl-N-methyl-
CID 91701477
5-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 54875538
5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60950070

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-di(propan-2-yl)butanamide?
The IUPAC name of 4-chloro-N,N-di(propan-2-yl)butanamide (CID 11790362) is 4-chloro-N,N-di(propan-2-yl)butanamide.
What is the SMILES notation for 4-chloro-N,N-di(propan-2-yl)butanamide?
The canonical SMILES for 4-chloro-N,N-di(propan-2-yl)butanamide is CC(C)N(C(=O)CCCCl)C(C)C.
What is the InChIKey of 4-chloro-N,N-di(propan-2-yl)butanamide?
The InChIKey is HOSYQMBAZLKTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-8(2)12(9(3)4)10(13)6-5-7-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-chloro-N,N-di(propan-2-yl)butanamide?
4-chloro-N,N-di(propan-2-yl)butanamide has a molecular weight of 205.73 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-di(propan-2-yl)butanamide is sourced from PubChem (CID 11790362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).