4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide

C16H25ClN2O2 — CID 120650627

IUPAC4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
SMILESCCN[C@H](C)CNC(=O)CCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H25ClN2O2/c1-4-18-13(3)11-19-16(20)6-5-9-21-14-7-8-15(17)12(2)10-14/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyZRXPRIFMSWFKFM-CYBMUJFWSA-N
MW312.84 g/mol
LogP2.92
Rot. Bonds9

About 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide

4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide (PubChem CID 120650627) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
PubChem CID120650627
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
SMILESCCN[C@H](C)CNC(=O)CCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H25ClN2O2/c1-4-18-13(3)11-19-16(20)6-5-9-21-14-7-8-15(17)12(2)10-14/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyZRXPRIFMSWFKFM-CYBMUJFWSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide with MolForge

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(4-chloro-3-methylphenoxy)butanamide
CID 120507285
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654441
4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654445
4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653975
N-[(2R)-2-(ethylamino)propyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 120654775
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654017
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32937961
2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653969
4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 2477739

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide (CID 120650627) is 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide is CCN[C@H](C)CNC(=O)CCCOc1ccc(Cl)c(C)c1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The InChIKey is ZRXPRIFMSWFKFM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-4-18-13(3)11-19-16(20)6-5-9-21-14-7-8-15(17)12(2)10-14/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide has a molecular weight of 312.84 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide is sourced from PubChem (CID 120650627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).