N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide

C17H26N2O — CID 82262388

IUPACN-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)CNC(C)Cc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)11-18-13(3)10-14-4-8-16(9-5-14)19-17(20)15-6-7-15/h4-5,8-9,12-13,15,18H,6-7,10-11H2,1-3H3,(H,19,20)
InChIKeyFSRBYWGMEDGHPK-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.21
Rot. Bonds7

About N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide

N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide (PubChem CID 82262388) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide
PubChem CID82262388
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)CNC(C)Cc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)11-18-13(3)10-14-4-8-16(9-5-14)19-17(20)15-6-7-15/h4-5,8-9,12-13,15,18H,6-7,10-11H2,1-3H3,(H,19,20)
InChIKeyFSRBYWGMEDGHPK-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145333
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145490
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
CID 112685719
N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 54782194
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide (CID 82262388) is N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide is CC(C)CNC(C)Cc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide?
The InChIKey is FSRBYWGMEDGHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)11-18-13(3)10-14-4-8-16(9-5-14)19-17(20)15-6-7-15/h4-5,8-9,12-13,15,18H,6-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82262388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).