4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride

C16H25ClN2O2 — CID 120654846

IUPAC4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(OCC2CC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-17-12(2)10-18-16(19)14-6-8-15(9-7-14)20-11-13-4-5-13;/h6-9,12-13,17H,3-5,10-11H2,1-2H3,(H,18,19);1H/t12-;/m1./s1
InChIKeyQBNHXOPKDNKHOP-UTONKHPSSA-N
MW312.84 g/mol
LogP2.62
Rot. Bonds8

About 4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride

4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride (PubChem CID 120654846) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
PubChem CID120654846
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(OCC2CC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-17-12(2)10-18-16(19)14-6-8-15(9-7-14)20-11-13-4-5-13;/h6-9,12-13,17H,3-5,10-11H2,1-2H3,(H,18,19);1H/t12-;/m1./s1
InChIKeyQBNHXOPKDNKHOP-UTONKHPSSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654055
N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride
CID 119996180
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120651678
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120651710
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119223456
4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565689
N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120654100

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride (CID 120654846) is 4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccc(OCC2CC2)cc1.Cl.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The InChIKey is QBNHXOPKDNKHOP-UTONKHPSSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-3-17-12(2)10-18-16(19)14-6-8-15(9-7-14)20-11-13-4-5-13;/h6-9,12-13,17H,3-5,10-11H2,1-2H3,(H,18,19);1H/t12-;/m1./s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120654846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).