N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide

C15H22ClNO3 — CID 106307036

IUPACN-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCCCOCCCl)c1
InChIInChI=1S/C15H22ClNO3/c1-12(2)20-14-6-3-5-13(11-14)15(18)17-8-4-9-19-10-7-16/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,17,18)
InChIKeyHDGWRRQAQBGMMJ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.85
Rot. Bonds9

About N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide

N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide (PubChem CID 106307036) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
PubChem CID106307036
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCCCOCCCl)c1
InChIInChI=1S/C15H22ClNO3/c1-12(2)20-14-6-3-5-13(11-14)15(18)17-8-4-9-19-10-7-16/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,17,18)
InChIKeyHDGWRRQAQBGMMJ-UHFFFAOYSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(4-chloropentyl)-3-propan-2-yloxybenzamide
CID 106130049
N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
CID 78785705
N-hex-5-ynyl-3-propan-2-yloxybenzamide
CID 114158546
N-[3-(2-chloroethoxy)propyl]-3-nitrobenzamide
CID 114171390
N-(4-amino-4-hydroxyiminobutyl)-3-propan-2-yloxybenzamide
CID 76977754
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
N-(3-methoxypropyl)-3-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 26160870
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561
N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919115
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
CID 106307093
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide (CID 106307036) is N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NCCCOCCCl)c1.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide?
The InChIKey is HDGWRRQAQBGMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-12(2)20-14-6-3-5-13(11-14)15(18)17-8-4-9-19-10-7-16/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide?
N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide has a molecular weight of 299.80 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 106307036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).