2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide

C18H25N3O2 — CID 146081380

IUPAC2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide
SMILESNC(=O)C1CCCCCC1NC(=O)NC1CCc2ccccc21
InChIInChI=1S/C18H25N3O2/c19-17(22)14-8-2-1-3-9-15(14)20-18(23)21-16-11-10-12-6-4-5-7-13(12)16/h4-7,14-16H,1-3,8-11H2,(H2,19,22)(H2,20,21,23)
InChIKeyOKPAQZYWXVQZND-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.41
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide

2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide (PubChem CID 146081380) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide
PubChem CID146081380
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide
SMILESNC(=O)C1CCCCCC1NC(=O)NC1CCc2ccccc21
InChIInChI=1S/C18H25N3O2/c19-17(22)14-8-2-1-3-9-15(14)20-18(23)21-16-11-10-12-6-4-5-7-13(12)16/h4-7,14-16H,1-3,8-11H2,(H2,19,22)(H2,20,21,23)
InChIKeyOKPAQZYWXVQZND-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea
CID 129394390
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 56800080
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea
CID 47127977

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide (CID 146081380) is 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide is NC(=O)C1CCCCCC1NC(=O)NC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide?
The InChIKey is OKPAQZYWXVQZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-17(22)14-8-2-1-3-9-15(14)20-18(23)21-16-11-10-12-6-4-5-7-13(12)16/h4-7,14-16H,1-3,8-11H2,(H2,19,22)(H2,20,21,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide?
2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide is sourced from PubChem (CID 146081380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).