2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide

C16H24N2O — CID 43507733

IUPAC2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCCCNC(C)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C16H24N2O/c1-4-9-17-12(3)13-5-7-14(8-6-13)18-16(19)15-10-11(15)2/h5-8,11-12,15,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyVAXXKTWCRUDATC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.34
Rot. Bonds6

About 2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide

2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 43507733) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
PubChem CID43507733
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCCCNC(C)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C16H24N2O/c1-4-9-17-12(3)13-5-7-14(8-6-13)18-16(19)15-10-11(15)2/h5-8,11-12,15,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyVAXXKTWCRUDATC-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 114824615
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508328
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 106910392
1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 28846768
1-butan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 61341260
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
CID 62715274

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide (CID 43507733) is 2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide is CCCNC(C)c1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of 2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is VAXXKTWCRUDATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-9-17-12(3)13-5-7-14(8-6-13)18-16(19)15-10-11(15)2/h5-8,11-12,15,17H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 43507733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).