N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide

C18H26N2O — CID 45270171

IUPACN-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1
InChIInChI=1S/C18H26N2O/c1-13(2)16-5-3-4-6-17(16)18(21)20(12-14-7-8-14)15-9-10-19-11-15/h3-6,13-15,19H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyOUQIHZQQYQPARR-HNNXBMFYSA-N
MW286.42 g/mol
LogP3.02
Rot. Bonds5

About N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide

N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 45270171) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID45270171
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1
InChIInChI=1S/C18H26N2O/c1-13(2)16-5-3-4-6-17(16)18(21)20(12-14-7-8-14)15-9-10-19-11-15/h3-6,13-15,19H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyOUQIHZQQYQPARR-HNNXBMFYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 45270171) is N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide is CC(C)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is OUQIHZQQYQPARR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)16-5-3-4-6-17(16)18(21)20(12-14-7-8-14)15-9-10-19-11-15/h3-6,13-15,19H,7-12H2,1-2H3/t15-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 286.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 45270171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).