2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride

C15H21Cl3N2O2 — CID 119754502

IUPAC2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2.ClH/c16-12-4-5-14(13(17)8-12)21-7-1-6-19-15(20)10-18-9-11-2-3-11;/h4-5,8,11,18H,1-3,6-7,9-10H2,(H,19,20);1H
InChIKeyFFEHVKOKKDKRLQ-UHFFFAOYSA-N
MW367.70 g/mol
LogP3.30
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride (PubChem CID 119754502) has the molecular formula C15H21Cl3N2O2 and a molecular weight of 367.70 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride
PubChem CID119754502
Molecular FormulaC15H21Cl3N2O2
Molecular Weight367.70 g/mol
Exact Mass366.07
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2.ClH/c16-12-4-5-14(13(17)8-12)21-7-1-6-19-15(20)10-18-9-11-2-3-11;/h4-5,8,11,18H,1-3,6-7,9-10H2,(H,19,20);1H
InChIKeyFFEHVKOKKDKRLQ-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 53.30
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-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119754516
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119772272
4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673180
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
(2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide
CID 95040802
4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride (CID 119754502) is 2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride?
The InChIKey is FFEHVKOKKDKRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2.ClH/c16-12-4-5-14(13(17)8-12)21-7-1-6-19-15(20)10-18-9-11-2-3-11;/h4-5,8,11,18H,1-3,6-7,9-10H2,(H,19,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride has a molecular weight of 367.70 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119754502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).