N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide

C16H26N2O — CID 103930833

IUPACN-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
SMILESCCCC(CC)Nc1cccc(NC(=O)CC)c1C
InChIInChI=1S/C16H26N2O/c1-5-9-13(6-2)17-14-10-8-11-15(12(14)4)18-16(19)7-3/h8,10-11,13,17H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyPBSZHGNJRSADTF-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.33
Rot. Bonds7

About N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide

N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide (PubChem CID 103930833) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
PubChem CID103930833
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
SMILESCCCC(CC)Nc1cccc(NC(=O)CC)c1C
InChIInChI=1S/C16H26N2O/c1-5-9-13(6-2)17-14-10-8-11-15(12(14)4)18-16(19)7-3/h8,10-11,13,17H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyPBSZHGNJRSADTF-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide
CID 104583783
N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide
CID 115916566
2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 65229652
N-[3-[[2-(dipropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54818982
2-(hexan-3-ylamino)benzoic acid
CID 62230532
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115916565
N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide
CID 59046880
2-amino-3-(hexan-3-ylamino)benzoic acid
CID 115545796
N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide
CID 64993033
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
N-[3-(acetylcarbamothioylamino)-2-methylphenyl]propanamide
CID 46760838

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide?
The IUPAC name of N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide (CID 103930833) is N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide is CCCC(CC)Nc1cccc(NC(=O)CC)c1C.
What is the InChIKey of N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide?
The InChIKey is PBSZHGNJRSADTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-9-13(6-2)17-14-10-8-11-15(12(14)4)18-16(19)7-3/h8,10-11,13,17H,5-7,9H2,1-4H3,(H,18,19).
What are the key properties of N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide?
N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide has a molecular weight of 262.40 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 103930833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).