4-(hexan-2-ylamino)benzamide

C13H20N2O — CID 43760421

IUPAC4-(hexan-2-ylamino)benzamide
SMILESCCCCC(C)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-5-10(2)15-12-8-6-11(7-9-12)13(14)16/h6-10,15H,3-5H2,1-2H3,(H2,14,16)
InChIKeyCFCQRLMAPRXNAX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.78
Rot. Bonds6

About 4-(hexan-2-ylamino)benzamide

4-(hexan-2-ylamino)benzamide (PubChem CID 43760421) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(hexan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-(hexan-2-ylamino)benzamide
PubChem CID43760421
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(hexan-2-ylamino)benzamide
SMILESCCCCC(C)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-5-10(2)15-12-8-6-11(7-9-12)13(14)16/h6-10,15H,3-5H2,1-2H3,(H2,14,16)
InChIKeyCFCQRLMAPRXNAX-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(pentan-2-ylamino)benzamide
CID 43193030
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
1-[4-(hexan-2-ylamino)phenyl]propan-1-one
CID 114066677
4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053
4-(1-aminohexan-2-ylamino)benzamide
CID 80698151
5-(heptan-2-ylamino)benzene-1,3-dicarboxamide
CID 43206266
N-ethyl-4-(heptan-2-ylamino)benzamide
CID 43728460
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
2-chloro-5-(heptan-2-ylamino)benzamide
CID 43713383
3-(hexan-2-ylamino)-4-nitrobenzamide
CID 82995731
4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112977

Frequently Asked Questions

What is the IUPAC name of 4-(hexan-2-ylamino)benzamide?
The IUPAC name of 4-(hexan-2-ylamino)benzamide (CID 43760421) is 4-(hexan-2-ylamino)benzamide.
What is the SMILES notation for 4-(hexan-2-ylamino)benzamide?
The canonical SMILES for 4-(hexan-2-ylamino)benzamide is CCCCC(C)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(hexan-2-ylamino)benzamide?
The InChIKey is CFCQRLMAPRXNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-5-10(2)15-12-8-6-11(7-9-12)13(14)16/h6-10,15H,3-5H2,1-2H3,(H2,14,16).
What are the key properties of 4-(hexan-2-ylamino)benzamide?
4-(hexan-2-ylamino)benzamide has a molecular weight of 220.32 g/mol, XLogP of 2.78, 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)benzamide is sourced from PubChem (CID 43760421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).