N-ethyl-4-(heptan-2-ylamino)benzamide

C16H26N2O — CID 43728460

IUPACN-ethyl-4-(heptan-2-ylamino)benzamide
SMILESCCCCCC(C)Nc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C16H26N2O/c1-4-6-7-8-13(3)18-15-11-9-14(10-12-15)16(19)17-5-2/h9-13,18H,4-8H2,1-3H3,(H,17,19)
InChIKeyDUEGNBYUGMXKIH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.82
Rot. Bonds8

About N-ethyl-4-(heptan-2-ylamino)benzamide

N-ethyl-4-(heptan-2-ylamino)benzamide (PubChem CID 43728460) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-4-(heptan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(heptan-2-ylamino)benzamide
PubChem CID43728460
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-4-(heptan-2-ylamino)benzamide
SMILESCCCCCC(C)Nc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C16H26N2O/c1-4-6-7-8-13(3)18-15-11-9-14(10-12-15)16(19)17-5-2/h9-13,18H,4-8H2,1-3H3,(H,17,19)
InChIKeyDUEGNBYUGMXKIH-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-4-(heptan-2-ylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
N-ethyl-4-(1-methoxypropan-2-ylamino)benzamide
CID 62534322
4-(hexan-2-ylamino)benzamide
CID 43760421
1-[4-(hexan-2-ylamino)phenyl]propan-1-one
CID 114066677
4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide
CID 63358537
N-ethyl-4-[[[ethylamino-(heptan-2-ylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111195763
N-ethyl-4-(hexylamino)benzamide
CID 43728484
4-tert-butyl-N-octan-2-ylaniline
CID 43129735
3-(octan-2-ylamino)-N-propylbenzamide
CID 43676007
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(heptan-2-ylamino)benzamide?
The IUPAC name of N-ethyl-4-(heptan-2-ylamino)benzamide (CID 43728460) is N-ethyl-4-(heptan-2-ylamino)benzamide.
What is the SMILES notation for N-ethyl-4-(heptan-2-ylamino)benzamide?
The canonical SMILES for N-ethyl-4-(heptan-2-ylamino)benzamide is CCCCCC(C)Nc1ccc(C(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-(heptan-2-ylamino)benzamide?
The InChIKey is DUEGNBYUGMXKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-6-7-8-13(3)18-15-11-9-14(10-12-15)16(19)17-5-2/h9-13,18H,4-8H2,1-3H3,(H,17,19).
What are the key properties of N-ethyl-4-(heptan-2-ylamino)benzamide?
N-ethyl-4-(heptan-2-ylamino)benzamide has a molecular weight of 262.40 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(heptan-2-ylamino)benzamide is sourced from PubChem (CID 43728460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).