(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide

C9H18ClNO2 — CID 92660589

IUPAC(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)[C@H](C)Cl
InChIInChI=1S/C9H18ClNO2/c1-7(2)13-6-4-5-11-9(12)8(3)10/h7-8H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyIQQITKQLXXYRNF-QMMMGPOBSA-N
MW207.70 g/mol
LogP1.54
Rot. Bonds6

About (2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide

(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 92660589) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is (2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID92660589
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)[C@H](C)Cl
InChIInChI=1S/C9H18ClNO2/c1-7(2)13-6-4-5-11-9(12)8(3)10/h7-8H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyIQQITKQLXXYRNF-QMMMGPOBSA-N
XLogP1.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.54
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

(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
4-amino-2-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 80543906
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide
CID 158348499
2-cyano-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 107856882
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
2,3-dimethyl-4-oxo-4-(4-propan-2-yloxybutylamino)butanoic acid
CID 106003621

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of (2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide (CID 92660589) is (2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for (2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for (2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)[C@H](C)Cl.
What is the InChIKey of (2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is IQQITKQLXXYRNF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-7(2)13-6-4-5-11-9(12)8(3)10/h7-8H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide?
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 207.70 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 92660589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).