4-(hexan-2-ylamino)-N-methylbenzamide

C14H22N2O — CID 43781053

IUPAC4-(hexan-2-ylamino)-N-methylbenzamide
SMILESCCCCC(C)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-6-11(2)16-13-9-7-12(8-10-13)14(17)15-3/h7-11,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyNKEMIWVMHJRZTP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.04
Rot. Bonds6

About 4-(hexan-2-ylamino)-N-methylbenzamide

4-(hexan-2-ylamino)-N-methylbenzamide (PubChem CID 43781053) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(hexan-2-ylamino)-N-methylbenzamide.

Molecular Properties

Compound Name4-(hexan-2-ylamino)-N-methylbenzamide
PubChem CID43781053
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(hexan-2-ylamino)-N-methylbenzamide
SMILESCCCCC(C)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-6-11(2)16-13-9-7-12(8-10-13)14(17)15-3/h7-11,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyNKEMIWVMHJRZTP-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43683632
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
1-[4-(hexan-2-ylamino)phenyl]propan-1-one
CID 114066677
4-(hexan-2-ylamino)benzamide
CID 43760421
N-ethyl-4-(heptan-2-ylamino)benzamide
CID 43728460
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619
4-(1-cyclopropylpropan-2-ylamino)-N-methylbenzamide
CID 113489746
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-methyl-4-[(nonan-2-ylamino)methyl]benzamide
CID 43129912
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
4-(pentan-2-ylamino)benzamide
CID 43193030
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312

Frequently Asked Questions

What is the IUPAC name of 4-(hexan-2-ylamino)-N-methylbenzamide?
The IUPAC name of 4-(hexan-2-ylamino)-N-methylbenzamide (CID 43781053) is 4-(hexan-2-ylamino)-N-methylbenzamide.
What is the SMILES notation for 4-(hexan-2-ylamino)-N-methylbenzamide?
The canonical SMILES for 4-(hexan-2-ylamino)-N-methylbenzamide is CCCCC(C)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-(hexan-2-ylamino)-N-methylbenzamide?
The InChIKey is NKEMIWVMHJRZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-6-11(2)16-13-9-7-12(8-10-13)14(17)15-3/h7-11,16H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 4-(hexan-2-ylamino)-N-methylbenzamide?
4-(hexan-2-ylamino)-N-methylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexan-2-ylamino)-N-methylbenzamide is sourced from PubChem (CID 43781053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).