N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide

C19H29NO2 — CID 56884216

IUPACN-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C19H29NO2/c1-4-12-20(14-16-8-9-16)18(21)17-7-5-6-15(13-17)10-11-19(2,3)22/h5-7,13,16,22H,4,8-12,14H2,1-3H3
InChIKeyLIFZNVYPWMJNHU-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.65
Rot. Bonds8

About N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide

N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide (PubChem CID 56884216) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide
PubChem CID56884216
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C19H29NO2/c1-4-12-20(14-16-8-9-16)18(21)17-7-5-6-15(13-17)10-11-19(2,3)22/h5-7,13,16,22H,4,8-12,14H2,1-3H3
InChIKeyLIFZNVYPWMJNHU-UHFFFAOYSA-N
XLogP3.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]benzoic acid
CID 61442889
2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid
CID 136546895
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70721723
N-(cyclopropylmethyl)-N-propyl-1H-indole-6-carboxamide
CID 61060523
N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 95895767
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide
CID 30948744
4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
CID 78785868
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 70747441
[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70783319
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 70712928

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide (CID 56884216) is N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide?
The InChIKey is LIFZNVYPWMJNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-12-20(14-16-8-9-16)18(21)17-7-5-6-15(13-17)10-11-19(2,3)22/h5-7,13,16,22H,4,8-12,14H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide?
N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide has a molecular weight of 303.45 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide is sourced from PubChem (CID 56884216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).