N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide

C20H32N2O3 — CID 18839396

IUPACN-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)NC(NC(=O)CCCC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H32N2O3/c1-5-7-9-18(23)21-20(22-19(24)10-8-6-2)16-11-13-17(14-12-16)25-15(3)4/h11-15,20H,5-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeySLKMATDQZOLSLL-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.09
Rot. Bonds11

About N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide

N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide (PubChem CID 18839396) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide
PubChem CID18839396
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)NC(NC(=O)CCCC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H32N2O3/c1-5-7-9-18(23)21-20(22-19(24)10-8-6-2)16-11-13-17(14-12-16)25-15(3)4/h11-15,20H,5-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeySLKMATDQZOLSLL-UHFFFAOYSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide
CID 2526890
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide
CID 74007158
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82314177
4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
CID 18839408
2-[[2-(butylamino)-2-oxoethyl]-methylamino]-2-(4-propan-2-yloxyphenyl)acetic acid
CID 46993828
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
N-[(3-heptoxy-4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
CID 18890153

Frequently Asked Questions

What is the IUPAC name of N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide?
The IUPAC name of N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide (CID 18839396) is N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide.
What is the SMILES notation for N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide?
The canonical SMILES for N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide is CCCCC(=O)NC(NC(=O)CCCC)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide?
The InChIKey is SLKMATDQZOLSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-5-7-9-18(23)21-20(22-19(24)10-8-6-2)16-11-13-17(14-12-16)25-15(3)4/h11-15,20H,5-10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide?
N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide has a molecular weight of 348.49 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide is sourced from PubChem (CID 18839396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).