N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide

C15H23ClN2O3 — CID 111488552

IUPACN-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(C)CCC(C)O
InChIInChI=1S/C15H23ClN2O3/c1-11(19)6-8-18(2)9-7-15(20)17-13-10-12(16)4-5-14(13)21-3/h4-5,10-11,19H,6-9H2,1-3H3,(H,17,20)
InChIKeyYCXDLELTCISFSA-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.38
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide (PubChem CID 111488552) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
PubChem CID111488552
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(C)CCC(C)O
InChIInChI=1S/C15H23ClN2O3/c1-11(19)6-8-18(2)9-7-15(20)17-13-10-12(16)4-5-14(13)21-3/h4-5,10-11,19H,6-9H2,1-3H3,(H,17,20)
InChIKeyYCXDLELTCISFSA-UHFFFAOYSA-N
XLogP2.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113116035
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113140891
2-[2-acetamidoethyl-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]propanoic acid
CID 122120519

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide (CID 111488552) is N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide is COc1ccc(Cl)cc1NC(=O)CCN(C)CCC(C)O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide?
The InChIKey is YCXDLELTCISFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-11(19)6-8-18(2)9-7-15(20)17-13-10-12(16)4-5-14(13)21-3/h4-5,10-11,19H,6-9H2,1-3H3,(H,17,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide has a molecular weight of 314.81 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide is sourced from PubChem (CID 111488552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).