2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride

C21H27ClN2O2 — CID 119754410

IUPAC2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1cccc(COCCc2ccccc2)c1
InChIInChI=1S/C21H26N2O2.ClH/c24-21(15-22-14-18-9-10-18)23-20-8-4-7-19(13-20)16-25-12-11-17-5-2-1-3-6-17;/h1-8,13,18,22H,9-12,14-16H2,(H,23,24);1H
InChIKeyDORYXSGSYQTZRI-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.81
Rot. Bonds10

About 2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride (PubChem CID 119754410) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride
PubChem CID119754410
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1cccc(COCCc2ccccc2)c1
InChIInChI=1S/C21H26N2O2.ClH/c24-21(15-22-14-18-9-10-18)23-20-8-4-7-19(13-20)16-25-12-11-17-5-2-1-3-6-17;/h1-8,13,18,22H,9-12,14-16H2,(H,23,24);1H
InChIKeyDORYXSGSYQTZRI-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.81
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

3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894
1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119754394
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
2-(cyclopropylmethylamino)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669315
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119729227
2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide
CID 120790252
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119723904
2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride
CID 119767750
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295
2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
CID 119306590

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride (CID 119754410) is 2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)Nc1cccc(COCCc2ccccc2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride?
The InChIKey is DORYXSGSYQTZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c24-21(15-22-14-18-9-10-18)23-20-8-4-7-19(13-20)16-25-12-11-17-5-2-1-3-6-17;/h1-8,13,18,22H,9-12,14-16H2,(H,23,24);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.81, 10 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-phenylethoxymethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119754410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).