1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea

C16H26N4O2 — CID 22301808

IUPAC1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea
SMILESCCCCN(C(N)=O)N(C(=O)c1ccccc1N)C(C)(C)C
InChIInChI=1S/C16H26N4O2/c1-5-6-11-19(15(18)22)20(16(2,3)4)14(21)12-9-7-8-10-13(12)17/h7-10H,5-6,11,17H2,1-4H3,(H2,18,22)
InChIKeyGERKTOCVZMYEDQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.61
Rot. Bonds4

About 1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea

1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea (PubChem CID 22301808) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea.

Molecular Properties

Compound Name1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea
PubChem CID22301808
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea
SMILESCCCCN(C(N)=O)N(C(=O)c1ccccc1N)C(C)(C)C
InChIInChI=1S/C16H26N4O2/c1-5-6-11-19(15(18)22)20(16(2,3)4)14(21)12-9-7-8-10-13(12)17/h7-10H,5-6,11,17H2,1-4H3,(H2,18,22)
InChIKeyGERKTOCVZMYEDQ-UHFFFAOYSA-N
XLogP2.61
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-tert-butyl-N-ethylbenzamide
CID 15894058
2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2-aminobenzamide;pentan-1-amine
CID 174724084
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide
CID 15894070
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
2-amino-N-dodecylbenzamide
CID 54099396
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
2-amino-N-carbamoyl-N-phenylbenzamide
CID 175153164
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea?
The IUPAC name of 1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea (CID 22301808) is 1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea.
What is the SMILES notation for 1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea?
The canonical SMILES for 1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea is CCCCN(C(N)=O)N(C(=O)c1ccccc1N)C(C)(C)C.
What is the InChIKey of 1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea?
The InChIKey is GERKTOCVZMYEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-6-11-19(15(18)22)20(16(2,3)4)14(21)12-9-7-8-10-13(12)17/h7-10H,5-6,11,17H2,1-4H3,(H2,18,22).
What are the key properties of 1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea?
1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea has a molecular weight of 306.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea is sourced from PubChem (CID 22301808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).