N-(6-aminohexyl)-3-(tert-butylamino)benzamide

C17H29N3O — CID 67566948

IUPACN-(6-aminohexyl)-3-(tert-butylamino)benzamide
SMILESCC(C)(C)Nc1cccc(C(=O)NCCCCCCN)c1
InChIInChI=1S/C17H29N3O/c1-17(2,3)20-15-10-8-9-14(13-15)16(21)19-12-7-5-4-6-11-18/h8-10,13,20H,4-7,11-12,18H2,1-3H3,(H,19,21)
InChIKeyNVUWZHVRCBLJNF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.15
Rot. Bonds8

About N-(6-aminohexyl)-3-(tert-butylamino)benzamide

N-(6-aminohexyl)-3-(tert-butylamino)benzamide (PubChem CID 67566948) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(6-aminohexyl)-3-(tert-butylamino)benzamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-3-(tert-butylamino)benzamide
PubChem CID67566948
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(6-aminohexyl)-3-(tert-butylamino)benzamide
SMILESCC(C)(C)Nc1cccc(C(=O)NCCCCCCN)c1
InChIInChI=1S/C17H29N3O/c1-17(2,3)20-15-10-8-9-14(13-15)16(21)19-12-7-5-4-6-11-18/h8-10,13,20H,4-7,11-12,18H2,1-3H3,(H,19,21)
InChIKeyNVUWZHVRCBLJNF-UHFFFAOYSA-N
XLogP3.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(8-aminooctyl)-3-bromobenzamide
CID 54790956
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide
CID 87330668
3-bromo-N-dodecylbenzamide
CID 603918
ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
CID 17407696
3-(ethylamino)-N-propylbenzamide
CID 43676038
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-3-(tert-butylamino)benzamide?
The IUPAC name of N-(6-aminohexyl)-3-(tert-butylamino)benzamide (CID 67566948) is N-(6-aminohexyl)-3-(tert-butylamino)benzamide.
What is the SMILES notation for N-(6-aminohexyl)-3-(tert-butylamino)benzamide?
The canonical SMILES for N-(6-aminohexyl)-3-(tert-butylamino)benzamide is CC(C)(C)Nc1cccc(C(=O)NCCCCCCN)c1.
What is the InChIKey of N-(6-aminohexyl)-3-(tert-butylamino)benzamide?
The InChIKey is NVUWZHVRCBLJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)20-15-10-8-9-14(13-15)16(21)19-12-7-5-4-6-11-18/h8-10,13,20H,4-7,11-12,18H2,1-3H3,(H,19,21).
What are the key properties of N-(6-aminohexyl)-3-(tert-butylamino)benzamide?
N-(6-aminohexyl)-3-(tert-butylamino)benzamide has a molecular weight of 291.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-3-(tert-butylamino)benzamide is sourced from PubChem (CID 67566948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).