4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide

C16H26N2O2 — CID 63944752

IUPAC4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide
SMILESCCCCC(CC)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C16H26N2O2/c1-3-5-6-14(4-2)18-15-9-7-13(8-10-15)16(20)17-11-12-19/h7-10,14,18-19H,3-6,11-12H2,1-2H3,(H,17,20)
InChIKeyZJHZYGMIVCLACK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.79
Rot. Bonds9

About 4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide

4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide (PubChem CID 63944752) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide
PubChem CID63944752
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide
SMILESCCCCC(CC)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C16H26N2O2/c1-3-5-6-14(4-2)18-15-9-7-13(8-10-15)16(20)17-11-12-19/h7-10,14,18-19H,3-6,11-12H2,1-2H3,(H,17,20)
InChIKeyZJHZYGMIVCLACK-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide
CID 43742088
N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide
CID 55086136
4-butan-2-yl-N-(2-hydroxyethyl)benzamide
CID 18724737
ethyl 4-(hexadecan-3-ylamino)benzoate
CID 23457806
N-ethyl-4-(heptan-2-ylamino)benzamide
CID 43728460
N-heptan-3-yl-4-(trifluoromethyl)aniline
CID 63947289
4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053
4-(1-aminohexan-2-ylamino)benzamide
CID 80698151
N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide
CID 63946276
3-[[4-[[(2S)-1-[4-(4-methylphenyl)phenyl]heptan-2-yl]amino]benzoyl]amino]propanoic acid
CID 152823886
N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide
CID 63945935
N-pentyl-4-(propylamino)benzamide
CID 62185567

Frequently Asked Questions

What is the IUPAC name of 4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide (CID 63944752) is 4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide is CCCCC(CC)Nc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide?
The InChIKey is ZJHZYGMIVCLACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-6-14(4-2)18-15-9-7-13(8-10-15)16(20)17-11-12-19/h7-10,14,18-19H,3-6,11-12H2,1-2H3,(H,17,20).
What are the key properties of 4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide?
4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 63944752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).