5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide

C27H30N2O2 — CID 67114740

IUPAC5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide
SMILESNC(=O)CCCCNC1CC1c1ccc(OCc2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C27H30N2O2/c28-27(30)13-7-8-16-29-25-18-23(25)22-14-15-26(31-19-20-9-3-1-4-10-20)24(17-22)21-11-5-2-6-12-21/h1-6,9-12,14-15,17,23,25,29H,7-8,13,16,18-19H2,(H2,28,30)
InChIKeyIWYGLFVIXZODJD-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.03
Rot. Bonds11

About 5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide

5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide (PubChem CID 67114740) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide
PubChem CID67114740
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide
SMILESNC(=O)CCCCNC1CC1c1ccc(OCc2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C27H30N2O2/c28-27(30)13-7-8-16-29-25-18-23(25)22-14-15-26(31-19-20-9-3-1-4-10-20)24(17-22)21-11-5-2-6-12-21/h1-6,9-12,14-15,17,23,25,29H,7-8,13,16,18-19H2,(H2,28,30)
InChIKeyIWYGLFVIXZODJD-UHFFFAOYSA-N
XLogP5.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
CID 77219986
5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
CID 67115781
(3R)-1-[2-[[(1R,2S)-2-[4-phenylmethoxy-3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 51035129
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
tert-butyl-[(3R)-1-[2-[[(1R,2S)-2-[4-phenylmethoxy-3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-yl]carbamic acid
CID 70944856
3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide
CID 52918686
2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide
CID 74538696
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
3-[3-[(1S,2R)-2-[(2-amino-2-oxoethyl)amino]cyclopropyl]-2-phenylmethoxyphenyl]benzamide
CID 67115928
benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 123672506
1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea
CID 57015699
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide?
The IUPAC name of 5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide (CID 67114740) is 5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide.
What is the SMILES notation for 5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide?
The canonical SMILES for 5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide is NC(=O)CCCCNC1CC1c1ccc(OCc2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide?
The InChIKey is IWYGLFVIXZODJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c28-27(30)13-7-8-16-29-25-18-23(25)22-14-15-26(31-19-20-9-3-1-4-10-20)24(17-22)21-11-5-2-6-12-21/h1-6,9-12,14-15,17,23,25,29H,7-8,13,16,18-19H2,(H2,28,30).
What are the key properties of 5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide?
5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide has a molecular weight of 414.55 g/mol, XLogP of 5.03, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide is sourced from PubChem (CID 67114740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).