5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide

C18H29N3O — CID 100655389

IUPAC5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N)ccc1NC1CCCCCCC1
InChIInChI=1S/C18H29N3O/c1-13(2)20-18(22)16-12-14(19)10-11-17(16)21-15-8-6-4-3-5-7-9-15/h10-13,15,21H,3-9,19H2,1-2H3,(H,20,22)
InChIKeyUULNZZSQAVGZFQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.93
Rot. Bonds4

About 5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide

5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide (PubChem CID 100655389) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
PubChem CID100655389
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N)ccc1NC1CCCCCCC1
InChIInChI=1S/C18H29N3O/c1-13(2)20-18(22)16-12-14(19)10-11-17(16)21-15-8-6-4-3-5-7-9-15/h10-13,15,21H,3-9,19H2,1-2H3,(H,20,22)
InChIKeyUULNZZSQAVGZFQ-UHFFFAOYSA-N
XLogP3.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(cyclooctylamino)-N-methylbenzamide
CID 100655350
5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
CID 100655411
5-amino-2-(cyclopropylamino)-N-methylbenzamide
CID 100639685
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
ethyl 5-amino-2-(cyclobutylamino)benzoate
CID 62413866
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100639026
5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
CID 100641884
5-amino-2-(1-cyclohexylethylamino)benzoic acid
CID 62407430
methyl 5-amino-2-(oxan-4-ylamino)benzoate
CID 61305371
5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide
CID 100646099
4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
CID 107207952
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide (CID 100655389) is 5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(N)ccc1NC1CCCCCCC1.
What is the InChIKey of 5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide?
The InChIKey is UULNZZSQAVGZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)20-18(22)16-12-14(19)10-11-17(16)21-15-8-6-4-3-5-7-9-15/h10-13,15,21H,3-9,19H2,1-2H3,(H,20,22).
What are the key properties of 5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide?
5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide has a molecular weight of 303.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 100655389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).