2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride

C18H29ClN2O3 — CID 119682983

IUPAC2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)CNCC2CC2)cc1OCC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-22-16-9-8-15(10-17(16)23-5-2)13(3)20-18(21)12-19-11-14-6-7-14;/h8-10,13-14,19H,4-7,11-12H2,1-3H3,(H,20,21);1H
InChIKeyCMGVLXTWIZFHHA-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.08
Rot. Bonds10

About 2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride (PubChem CID 119682983) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
PubChem CID119682983
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)CNCC2CC2)cc1OCC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-22-16-9-8-15(10-17(16)23-5-2)13(3)20-18(21)12-19-11-14-6-7-14;/h8-10,13-14,19H,4-7,11-12H2,1-3H3,(H,20,21);1H
InChIKeyCMGVLXTWIZFHHA-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119682971
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 11928712

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride (CID 119682983) is 2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride is CCOc1ccc(C(C)NC(=O)CNCC2CC2)cc1OCC.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is CMGVLXTWIZFHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-4-22-16-9-8-15(10-17(16)23-5-2)13(3)20-18(21)12-19-11-14-6-7-14;/h8-10,13-14,19H,4-7,11-12H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119682983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).