5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide

C14H21N3O2 — CID 120629582

IUPAC5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide
SMILESCCC(CC)(NC(=O)c1cc(N)ccc1C)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-4-14(5-2,13(16)19)17-12(18)11-8-10(15)7-6-9(11)3/h6-8H,4-5,15H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyRMDDLGVRBMKJGI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.35
Rot. Bonds5

About 5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide

5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide (PubChem CID 120629582) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide
PubChem CID120629582
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide
SMILESCCC(CC)(NC(=O)c1cc(N)ccc1C)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-4-14(5-2,13(16)19)17-12(18)11-8-10(15)7-6-9(11)3/h6-8H,4-5,15H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyRMDDLGVRBMKJGI-UHFFFAOYSA-N
XLogP1.35
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.35
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-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 107864346
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
5-amino-2-methyl-N-methylsulfonylbenzamide
CID 18957755
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
CID 120632540
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
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CID 120638870

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide (CID 120629582) is 5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide is CCC(CC)(NC(=O)c1cc(N)ccc1C)C(N)=O.
What is the InChIKey of 5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide?
The InChIKey is RMDDLGVRBMKJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-14(5-2,13(16)19)17-12(18)11-8-10(15)7-6-9(11)3/h6-8H,4-5,15H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide?
5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide is sourced from PubChem (CID 120629582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).