2-chloro-N-(4-propan-2-yloxybutyl)acetamide

C9H18ClNO2 — CID 82109645

IUPAC2-chloro-N-(4-propan-2-yloxybutyl)acetamide
SMILESCC(C)OCCCCNC(=O)CCl
InChIInChI=1S/C9H18ClNO2/c1-8(2)13-6-4-3-5-11-9(12)7-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyQAWAVTYQJZGFEO-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.55
Rot. Bonds7

About 2-chloro-N-(4-propan-2-yloxybutyl)acetamide

2-chloro-N-(4-propan-2-yloxybutyl)acetamide (PubChem CID 82109645) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-chloro-N-(4-propan-2-yloxybutyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-propan-2-yloxybutyl)acetamide
PubChem CID82109645
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-chloro-N-(4-propan-2-yloxybutyl)acetamide
SMILESCC(C)OCCCCNC(=O)CCl
InChIInChI=1S/C9H18ClNO2/c1-8(2)13-6-4-3-5-11-9(12)7-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyQAWAVTYQJZGFEO-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

6-propan-2-yloxyhexylcarbamic acid
CID 126658630
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
CID 106003646
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide
CID 106011222
N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide
CID 158348499
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide
CID 163940607
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-propan-2-yloxybutyl)acetamide?
The IUPAC name of 2-chloro-N-(4-propan-2-yloxybutyl)acetamide (CID 82109645) is 2-chloro-N-(4-propan-2-yloxybutyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-propan-2-yloxybutyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-propan-2-yloxybutyl)acetamide is CC(C)OCCCCNC(=O)CCl.
What is the InChIKey of 2-chloro-N-(4-propan-2-yloxybutyl)acetamide?
The InChIKey is QAWAVTYQJZGFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-8(2)13-6-4-3-5-11-9(12)7-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-chloro-N-(4-propan-2-yloxybutyl)acetamide?
2-chloro-N-(4-propan-2-yloxybutyl)acetamide has a molecular weight of 207.70 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-propan-2-yloxybutyl)acetamide is sourced from PubChem (CID 82109645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).