N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide

C15H21N3O2 — CID 53110621

IUPACN-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
SMILESCCNC(=O)C1(c2ccc(NC(=O)NC)cc2)CCC1
InChIInChI=1S/C15H21N3O2/c1-3-17-13(19)15(9-4-10-15)11-5-7-12(8-6-11)18-14(20)16-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyXMBSFOGEDAXTDN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.00
Rot. Bonds4

About N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide

N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide (PubChem CID 53110621) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
PubChem CID53110621
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
SMILESCCNC(=O)C1(c2ccc(NC(=O)NC)cc2)CCC1
InChIInChI=1S/C15H21N3O2/c1-3-17-13(19)15(9-4-10-15)11-5-7-12(8-6-11)18-14(20)16-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyXMBSFOGEDAXTDN-UHFFFAOYSA-N
XLogP2.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821480
1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557953
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110613
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide
CID 46384149
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
1-(4-ethylphenyl)-3-methylurea
CID 54250791

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide (CID 53110621) is N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide is CCNC(=O)C1(c2ccc(NC(=O)NC)cc2)CCC1.
What is the InChIKey of N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide?
The InChIKey is XMBSFOGEDAXTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-17-13(19)15(9-4-10-15)11-5-7-12(8-6-11)18-14(20)16-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide?
N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 53110621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).