N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide

C16H23ClN2O2 — CID 103603858

IUPACN-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCCCOCC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-12-3-6-14(17)9-15(12)19-16(20)10-18-7-2-8-21-11-13-4-5-13/h3,6,9,13,18H,2,4-5,7-8,10-11H2,1H3,(H,19,20)
InChIKeySDMCULMFPPIUHZ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.99
Rot. Bonds9

About N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide (PubChem CID 103603858) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide
PubChem CID103603858
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCCCOCC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-12-3-6-14(17)9-15(12)19-16(20)10-18-7-2-8-21-11-13-4-5-13/h3,6,9,13,18H,2,4-5,7-8,10-11H2,1H3,(H,19,20)
InChIKeySDMCULMFPPIUHZ-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106129889
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
2-[3-(cyclopropylmethoxy)propylamino]-N-phenylacetamide
CID 103603851
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746
N-(5-chloro-2-methylphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 63829118
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide
CID 106211851
N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015588
N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
CID 79352093

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide (CID 103603858) is N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNCCCOCC1CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide?
The InChIKey is SDMCULMFPPIUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12-3-6-14(17)9-15(12)19-16(20)10-18-7-2-8-21-11-13-4-5-13/h3,6,9,13,18H,2,4-5,7-8,10-11H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide has a molecular weight of 310.82 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide is sourced from PubChem (CID 103603858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).