2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide

C20H24ClNO4 — CID 43877185

IUPAC2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(C)COc1ccc(OC)cc1
InChIInChI=1S/C20H24ClNO4/c1-4-19(26-18-7-5-6-15(21)12-18)20(23)22-14(2)13-25-17-10-8-16(24-3)9-11-17/h5-12,14,19H,4,13H2,1-3H3,(H,22,23)
InChIKeyVVVLJGAOHNMIAM-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.09
Rot. Bonds9

About 2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide

2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide (PubChem CID 43877185) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
PubChem CID43877185
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(C)COc1ccc(OC)cc1
InChIInChI=1S/C20H24ClNO4/c1-4-19(26-18-7-5-6-15(21)12-18)20(23)22-14(2)13-25-17-10-8-16(24-3)9-11-17/h5-12,14,19H,4,13H2,1-3H3,(H,22,23)
InChIKeyVVVLJGAOHNMIAM-UHFFFAOYSA-N
XLogP4.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132652458
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94027354
(2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100527759
2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide
CID 46763081
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133262253
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide (CID 43877185) is 2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NC(C)COc1ccc(OC)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide?
The InChIKey is VVVLJGAOHNMIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-4-19(26-18-7-5-6-15(21)12-18)20(23)22-14(2)13-25-17-10-8-16(24-3)9-11-17/h5-12,14,19H,4,13H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide?
2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide has a molecular weight of 377.87 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide is sourced from PubChem (CID 43877185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).