N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide

C20H29F3N2O3 — CID 56540605

IUPACN-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H29F3N2O3/c1-4-13-25(14-5-2)19(27)8-6-7-18(26)24(3)15-16-9-11-17(12-10-16)28-20(21,22)23/h9-12H,4-8,13-15H2,1-3H3
InChIKeyRTABHPCEDGYYCD-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.36
Rot. Bonds11

About N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide

N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide (PubChem CID 56540605) has the molecular formula C20H29F3N2O3 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide.

Molecular Properties

Compound NameN-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide
PubChem CID56540605
Molecular FormulaC20H29F3N2O3
Molecular Weight402.46 g/mol
Exact Mass402.21
IUPAC NameN-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H29F3N2O3/c1-4-13-25(14-5-2)19(27)8-6-7-18(26)24(3)15-16-9-11-17(12-10-16)28-20(21,22)23/h9-12H,4-8,13-15H2,1-3H3
InChIKeyRTABHPCEDGYYCD-UHFFFAOYSA-N
XLogP4.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56538297
2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-oxobutyl]benzamide
CID 37492052
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 134003798
3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120608876
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56550163
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
N-methyl-2-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 52570534
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
ethyl 2-methyl-2-[4-[[methyl-[5-[4-(trifluoromethoxy)phenyl]pent-4-ynoyl]amino]methyl]phenoxy]propanoate
CID 69459754
3-[[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]amino]propanoic acid
CID 122019413

Frequently Asked Questions

What is the IUPAC name of N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide?
The IUPAC name of N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide (CID 56540605) is N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide.
What is the SMILES notation for N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide?
The canonical SMILES for N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide is CCCN(CCC)C(=O)CCCC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide?
The InChIKey is RTABHPCEDGYYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O3/c1-4-13-25(14-5-2)19(27)8-6-7-18(26)24(3)15-16-9-11-17(12-10-16)28-20(21,22)23/h9-12H,4-8,13-15H2,1-3H3.
What are the key properties of N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide?
N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide has a molecular weight of 402.46 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide is sourced from PubChem (CID 56540605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).