N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide

C17H25NO4 — CID 78785886

IUPACN-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H25NO4/c1-5-8-18(11-12-6-7-12)17(19)13-9-14(20-2)16(22-4)15(10-13)21-3/h9-10,12H,5-8,11H2,1-4H3
InChIKeyCHAQUWLMSOMWQL-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.97
Rot. Bonds8

About N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide

N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide (PubChem CID 78785886) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide
PubChem CID78785886
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H25NO4/c1-5-8-18(11-12-6-7-12)17(19)13-9-14(20-2)16(22-4)15(10-13)21-3/h9-10,12H,5-8,11H2,1-4H3
InChIKeyCHAQUWLMSOMWQL-UHFFFAOYSA-N
XLogP2.97
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3957598
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
4-methoxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702846
2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 55041470
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
N,N-bis[(2S)-butan-2-yl]-3,4,5-trimethoxybenzamide
CID 40584793
methyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 115575376
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 71370887

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide (CID 78785886) is N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide?
The InChIKey is CHAQUWLMSOMWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-5-8-18(11-12-6-7-12)17(19)13-9-14(20-2)16(22-4)15(10-13)21-3/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide?
N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide has a molecular weight of 307.39 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide is sourced from PubChem (CID 78785886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).