(2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide

C12H20ClNO2 — CID 129495275

IUPAC(2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide
SMILESC[C@@H](Cl)C(=O)N(CC1CC1)C1CCOCC1
InChIInChI=1S/C12H20ClNO2/c1-9(13)12(15)14(8-10-2-3-10)11-4-6-16-7-5-11/h9-11H,2-8H2,1H3/t9-/m1/s1
InChIKeyBAMPUHRCAOTBAE-SECBINFHSA-N
MW245.75 g/mol
LogP2.03
Rot. Bonds4

About (2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide

(2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide (PubChem CID 129495275) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is (2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide
PubChem CID129495275
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name(2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide
SMILESC[C@@H](Cl)C(=O)N(CC1CC1)C1CCOCC1
InChIInChI=1S/C12H20ClNO2/c1-9(13)12(15)14(8-10-2-3-10)11-4-6-16-7-5-11/h9-11H,2-8H2,1H3/t9-/m1/s1
InChIKeyBAMPUHRCAOTBAE-SECBINFHSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide
CID 129498676
2-chloro-N-ethyl-N-(oxan-4-yl)propanamide
CID 121203502
2-chloro-N-cyclopropyl-N-(2-methylpropyl)propanamide
CID 60948501
2-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 110875799
N-cyclopropyl-2-methyl-N-(oxan-4-yl)propanamide
CID 110873026
3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
CID 62728154
3-[carboxymethyl(oxan-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 166239721
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)propanamide
CID 60949797
(2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide
CID 129498740
N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77046120
N-cyclopropyl-N-(piperidin-4-ylmethyl)oxane-4-carboxamide
CID 79720437
2-[methyl(oxan-4-yl)amino]pentan-3-one
CID 64868191

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide?
The IUPAC name of (2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide (CID 129495275) is (2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide.
What is the SMILES notation for (2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide?
The canonical SMILES for (2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide is C[C@@H](Cl)C(=O)N(CC1CC1)C1CCOCC1.
What is the InChIKey of (2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide?
The InChIKey is BAMPUHRCAOTBAE-SECBINFHSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-9(13)12(15)14(8-10-2-3-10)11-4-6-16-7-5-11/h9-11H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide?
(2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide has a molecular weight of 245.75 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-(cyclopropylmethyl)-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 129495275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).