(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide

C20H24N2O3 — CID 42579555

IUPAC(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-18(25-17-8-6-7-14(3)13-17)20(24)22-16-11-9-15(10-12-16)21-19(23)5-2/h6-13,18H,4-5H2,1-3H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyYHKUWZDOZNPDMN-SFHVURJKSA-N
MW340.42 g/mol
LogP4.14
Rot. Bonds7

About (2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide

(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide (PubChem CID 42579555) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
PubChem CID42579555
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-18(25-17-8-6-7-14(3)13-17)20(24)22-16-11-9-15(10-12-16)21-19(23)5-2/h6-13,18H,4-5H2,1-3H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyYHKUWZDOZNPDMN-SFHVURJKSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 99954912
N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 4951568
2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133239925
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
(2S)-N-(4-bromo-3-chlorophenyl)-2-(3-methylphenoxy)butanamide
CID 99950247
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide (CID 42579555) is (2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide?
The InChIKey is YHKUWZDOZNPDMN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-18(25-17-8-6-7-14(3)13-17)20(24)22-16-11-9-15(10-12-16)21-19(23)5-2/h6-13,18H,4-5H2,1-3H3,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide?
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide has a molecular weight of 340.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 42579555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).