N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide

C23H27NO2 — CID 44572048

IUPACN-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESCc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C23H27NO2/c1-17-14-20(19-6-3-2-4-7-19)11-12-22(17)23(25)24(15-18-9-10-18)16-21-8-5-13-26-21/h2-4,6-7,11-12,14,18,21H,5,8-10,13,15-16H2,1H3
InChIKeyNMKOUMAHQJAWQP-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.69
Rot. Bonds6

About N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide

N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide (PubChem CID 44572048) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
PubChem CID44572048
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC NameN-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESCc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C23H27NO2/c1-17-14-20(19-6-3-2-4-7-19)11-12-22(17)23(25)24(15-18-9-10-18)16-21-8-5-13-26-21/h2-4,6-7,11-12,14,18,21H,5,8-10,13,15-16H2,1H3
InChIKeyNMKOUMAHQJAWQP-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 42611262
Benzamide, N-tetrahydrofurfuryl-3-methyl-
CID 531960
N-(Tetrahydro-2-furanylmethyl)-1-naphthamide
CID 2932372
(2,5-Dihydro-1h-Pyrrol-1-Yl)(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)methanone
CID 119057480
2-(2-Oxolanylmethyl)benzo[de]isoquinoline-1,3-dione
CID 305330
N-cyclopropyl-3-fluoro-4-methyl-5-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 44480181
1-(4-tert-butylbenzoyl)-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2937371
N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)[1,1'-biphenyl]-4-carboxamide
CID 4017619
N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571386
N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44571388
N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571488
N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571491

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide (CID 44572048) is N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide is Cc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The InChIKey is NMKOUMAHQJAWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-17-14-20(19-6-3-2-4-7-19)11-12-22(17)23(25)24(15-18-9-10-18)16-21-8-5-13-26-21/h2-4,6-7,11-12,14,18,21H,5,8-10,13,15-16H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide has a molecular weight of 349.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide is sourced from PubChem (CID 44572048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).