N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

C25H32N4O2 — CID 33416667

IUPACN-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESC[C@H](CNC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C25H32N4O2/c1-17(29-14-13-20-5-3-4-6-22(20)16-29)15-26-25(31)27-18(2)19-9-11-23(12-10-19)28-24(30)21-7-8-21/h3-6,9-12,17-18,21H,7-8,13-16H2,1-2H3,(H,28,30)(H2,26,27,31)/t17-,18-/m1/s1
InChIKeyWYTWCMWAKPFZQN-QZTJIDSGSA-N
MW420.56 g/mol
LogP3.84
Rot. Bonds7

About N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 33416667) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID33416667
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESC[C@H](CNC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C25H32N4O2/c1-17(29-14-13-20-5-3-4-6-22(20)16-29)15-26-25(31)27-18(2)19-9-11-23(12-10-19)28-24(30)21-7-8-21/h3-6,9-12,17-18,21H,7-8,13-16H2,1-2H3,(H,28,30)(H2,26,27,31)/t17-,18-/m1/s1
InChIKeyWYTWCMWAKPFZQN-QZTJIDSGSA-N
XLogP3.84
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892306
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121019
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-phenylurea
CID 110403233
N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 42952735
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438280
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-[1-[3-(dimethylsulfamoyl)phenyl]ethyl]oxamide
CID 167891994

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 33416667) is N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide is C[C@H](CNC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)N1CCc2ccccc2C1.
What is the InChIKey of N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is WYTWCMWAKPFZQN-QZTJIDSGSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-17(29-14-13-20-5-3-4-6-22(20)16-29)15-26-25(31)27-18(2)19-9-11-23(12-10-19)28-24(30)21-7-8-21/h3-6,9-12,17-18,21H,7-8,13-16H2,1-2H3,(H,28,30)(H2,26,27,31)/t17-,18-/m1/s1.
What are the key properties of N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 33416667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).