4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide

C19H30N2O2 — CID 95860893

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1ccc(CCC(C)(C)O)cc1)N1CCCC1
InChIInChI=1S/C19H30N2O2/c1-15(21-12-4-5-13-21)14-20-18(22)17-8-6-16(7-9-17)10-11-19(2,3)23/h6-9,15,23H,4-5,10-14H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyNNVAANOXCPRLPK-OAHLLOKOSA-N
MW318.46 g/mol
LogP2.60
Rot. Bonds7

About 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide

4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide (PubChem CID 95860893) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
PubChem CID95860893
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1ccc(CCC(C)(C)O)cc1)N1CCCC1
InChIInChI=1S/C19H30N2O2/c1-15(21-12-4-5-13-21)14-20-18(22)17-8-6-16(7-9-17)10-11-19(2,3)23/h6-9,15,23H,4-5,10-14H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyNNVAANOXCPRLPK-OAHLLOKOSA-N
XLogP2.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 110301675
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95862889
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
4-(3-hydroxy-3-methylbutyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 56909604
4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 95873116
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide
CID 95897248
3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
CID 61140955
4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 80973531
5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide
CID 47031083

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide (CID 95860893) is 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide is C[C@H](CNC(=O)c1ccc(CCC(C)(C)O)cc1)N1CCCC1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
The InChIKey is NNVAANOXCPRLPK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(21-12-4-5-13-21)14-20-18(22)17-8-6-16(7-9-17)10-11-19(2,3)23/h6-9,15,23H,4-5,10-14H2,1-3H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide has a molecular weight of 318.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide is sourced from PubChem (CID 95860893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).