N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide

C16H22N2O — CID 110473133

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCN1CCCC1CNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O/c1-18-11-5-8-14(18)12-17-15(19)16(9-10-16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,19)
InChIKeyDEOBLWAHDWTXQH-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.93
Rot. Bonds4

About N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide

N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 110473133) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID110473133
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCN1CCCC1CNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O/c1-18-11-5-8-14(18)12-17-15(19)16(9-10-16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,19)
InChIKeyDEOBLWAHDWTXQH-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Milnacipran Hydrochloride
CID 163701
Milnacipran
CID 65833
Levomilnacipran
CID 6917779
Lisdexamfetamine
CID 11597698
F 1459
CID 162185
Levomilnacipran Hydrochloride
CID 6917778
2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 11622909
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 9906804
5-Benzylpyrrolidin-2-One
CID 99881
Butyramide, 4-diisopropylamino-2,2-diphenyl-
CID 38310
1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
Spiro-carboxamide scaffold, 13
CID 44143299

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide (CID 110473133) is N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide is CN1CCCC1CNC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is DEOBLWAHDWTXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-11-5-8-14(18)12-17-15(19)16(9-10-16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,19).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 110473133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).