4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide

C16H22N2O — CID 36965111

IUPAC4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide
SMILESC[C@@H](C1CC1)N(Cc1ccc(C(N)=O)cc1)C1CC1
InChIInChI=1S/C16H22N2O/c1-11(13-6-7-13)18(15-8-9-15)10-12-2-4-14(5-3-12)16(17)19/h2-5,11,13,15H,6-10H2,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyAVNRKEIEMXBCJH-NSHDSACASA-N
MW258.37 g/mol
LogP2.55
Rot. Bonds6

About 4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide

4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide (PubChem CID 36965111) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide
PubChem CID36965111
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide
SMILESC[C@@H](C1CC1)N(Cc1ccc(C(N)=O)cc1)C1CC1
InChIInChI=1S/C16H22N2O/c1-11(13-6-7-13)18(15-8-9-15)10-12-2-4-14(5-3-12)16(17)19/h2-5,11,13,15H,6-10H2,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyAVNRKEIEMXBCJH-NSHDSACASA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide
CID 51926702
4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide
CID 39881839
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide
CID 111858640
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide
CID 106631671
(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 8770549
4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
CID 43054825

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide (CID 36965111) is 4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide is C[C@@H](C1CC1)N(Cc1ccc(C(N)=O)cc1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide?
The InChIKey is AVNRKEIEMXBCJH-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(13-6-7-13)18(15-8-9-15)10-12-2-4-14(5-3-12)16(17)19/h2-5,11,13,15H,6-10H2,1H3,(H2,17,19)/t11-/m0/s1.
What are the key properties of 4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide?
4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide has a molecular weight of 258.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide is sourced from PubChem (CID 36965111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).