N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide

C30H44N2O — CID 67942789

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide
SMILESCCCCC(NCC1(c2ccccc2)CCCC1)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H44N2O/c1-6-7-18-27(31-21-30(19-11-12-20-30)24-14-9-8-10-15-24)29(33)32-28-25(22(2)3)16-13-17-26(28)23(4)5/h8-10,13-17,22-23,27,31H,6-7,11-12,18-21H2,1-5H3,(H,32,33)
InChIKeyKPKLQVYMMZKFHV-UHFFFAOYSA-N
MW448.70 g/mol
LogP7.53
Rot. Bonds11

About N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide

N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide (PubChem CID 67942789) has the molecular formula C30H44N2O and a molecular weight of 448.70 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide
PubChem CID67942789
Molecular FormulaC30H44N2O
Molecular Weight448.70 g/mol
Exact Mass448.35
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide
SMILESCCCCC(NCC1(c2ccccc2)CCCC1)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H44N2O/c1-6-7-18-27(31-21-30(19-11-12-20-30)24-14-9-8-10-15-24)29(33)32-28-25(22(2)3)16-13-17-26(28)23(4)5/h8-10,13-17,22-23,27,31H,6-7,11-12,18-21H2,1-5H3,(H,32,33)
InChIKeyKPKLQVYMMZKFHV-UHFFFAOYSA-N
XLogP7.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.70
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-[4-(hydroxymethyl)phenyl]cyclopentyl]methyl]urea
CID 10476581
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
CID 14977528
ethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]hexanoate
CID 3779877
1-[2,6-di(butan-2-yl)phenyl]-3-[[1-[4-(dibutylamino)phenyl]cyclopentyl]methyl]urea
CID 67892431
2-(2,2-diphenylethylamino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 19874877
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
CID 107144402

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide (CID 67942789) is N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide is CCCCC(NCC1(c2ccccc2)CCCC1)C(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide?
The InChIKey is KPKLQVYMMZKFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O/c1-6-7-18-27(31-21-30(19-11-12-20-30)24-14-9-8-10-15-24)29(33)32-28-25(22(2)3)16-13-17-26(28)23(4)5/h8-10,13-17,22-23,27,31H,6-7,11-12,18-21H2,1-5H3,(H,32,33).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide has a molecular weight of 448.70 g/mol, XLogP of 7.53, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide is sourced from PubChem (CID 67942789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).