2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide

C16H22N2O — CID 106910945

IUPAC2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(CNC2CC2)c1)C1CC1
InChIInChI=1S/C16H22N2O/c1-11(13-5-6-13)16(19)18-15-4-2-3-12(9-15)10-17-14-7-8-14/h2-4,9,11,13-14,17H,5-8,10H2,1H3,(H,18,19)
InChIKeyUZAUVTMPJJHGTI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.92
Rot. Bonds6

About 2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide

2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide (PubChem CID 106910945) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
PubChem CID106910945
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(CNC2CC2)c1)C1CC1
InChIInChI=1S/C16H22N2O/c1-11(13-5-6-13)16(19)18-15-4-2-3-12(9-15)10-17-14-7-8-14/h2-4,9,11,13-14,17H,5-8,10H2,1H3,(H,18,19)
InChIKeyUZAUVTMPJJHGTI-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate
CID 106911597
N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
CID 106910927
2-cyclopropyl-N-(3-iodophenyl)propanamide
CID 79507143
N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106910888
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873
2-cyclopropyl-N-(3-formylphenyl)propanamide
CID 106912491
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 106910952
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline
CID 114284812
N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide
CID 106911358
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
CID 79506458

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide (CID 106910945) is 2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide is CC(C(=O)Nc1cccc(CNC2CC2)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide?
The InChIKey is UZAUVTMPJJHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(13-5-6-13)16(19)18-15-4-2-3-12(9-15)10-17-14-7-8-14/h2-4,9,11,13-14,17H,5-8,10H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide?
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide has a molecular weight of 258.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 106910945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).