1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide

C19H28N2O — CID 94488648

IUPAC1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
SMILESCCCN1CC[C@H](CNC(=O)C2(c3ccccc3)CCC2)C1
InChIInChI=1S/C19H28N2O/c1-2-12-21-13-9-16(15-21)14-20-18(22)19(10-6-11-19)17-7-4-3-5-8-17/h3-5,7-8,16H,2,6,9-15H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyBIUBNALUIQQEPL-MRXNPFEDSA-N
MW300.45 g/mol
LogP2.96
Rot. Bonds6

About 1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide

1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 94488648) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
PubChem CID94488648
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
SMILESCCCN1CC[C@H](CNC(=O)C2(c3ccccc3)CCC2)C1
InChIInChI=1S/C19H28N2O/c1-2-12-21-13-9-16(15-21)14-20-18(22)19(10-6-11-19)17-7-4-3-5-8-17/h3-5,7-8,16H,2,6,9-15H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyBIUBNALUIQQEPL-MRXNPFEDSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 56704001
N-[(4-methylmorpholin-2-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 49094024
N-[[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 95222106
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 110473133
1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42213685
1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42401799
N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 171674237
1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 51099492
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
1-(4-methoxyphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214855
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide (CID 94488648) is 1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide is CCCN1CC[C@H](CNC(=O)C2(c3ccccc3)CCC2)C1.
What is the InChIKey of 1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is BIUBNALUIQQEPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-12-21-13-9-16(15-21)14-20-18(22)19(10-6-11-19)17-7-4-3-5-8-17/h3-5,7-8,16H,2,6,9-15H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 94488648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).