3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide

C18H30N2O — CID 43693956

IUPAC3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
SMILESCCC(C)CC(CC)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C18H30N2O/c1-6-14(5)11-16(7-2)20-17-10-8-9-15(12-17)18(21)19-13(3)4/h8-10,12-14,16,20H,6-7,11H2,1-5H3,(H,19,21)
InChIKeyMRNJVFKZWPDYBG-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.45
Rot. Bonds8

About 3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide

3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide (PubChem CID 43693956) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
PubChem CID43693956
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
SMILESCCC(C)CC(CC)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C18H30N2O/c1-6-14(5)11-16(7-2)20-17-10-8-9-15(12-17)18(21)19-13(3)4/h8-10,12-14,16,20H,6-7,11H2,1-5H3,(H,19,21)
InChIKeyMRNJVFKZWPDYBG-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(heptan-3-ylamino)-N-propan-2-ylbenzamide
CID 63945899
methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
CID 66173914
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
CID 899507
N-(5-methylheptan-3-yl)-3-propan-2-ylaniline
CID 43097145
N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide
CID 97329344
N-(5-methylheptan-3-yl)-3-methylsulfonylaniline
CID 54861663
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide
CID 81075273
3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119211691
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 86983303

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide (CID 43693956) is 3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide is CCC(C)CC(CC)Nc1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide?
The InChIKey is MRNJVFKZWPDYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-14(5)11-16(7-2)20-17-10-8-9-15(12-17)18(21)19-13(3)4/h8-10,12-14,16,20H,6-7,11H2,1-5H3,(H,19,21).
What are the key properties of 3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide?
3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide has a molecular weight of 290.45 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 43693956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).