1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide

C12H18N2O2 — CID 81179466

IUPAC1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
SMILESCC(Cc1ccco1)NC(=O)C1(N)CCC1
InChIInChI=1S/C12H18N2O2/c1-9(8-10-4-2-7-16-10)14-11(15)12(13)5-3-6-12/h2,4,7,9H,3,5-6,8,13H2,1H3,(H,14,15)
InChIKeyPZBGOHCVMGZFSL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.21
Rot. Bonds4

About 1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide

1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide (PubChem CID 81179466) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
PubChem CID81179466
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
SMILESCC(Cc1ccco1)NC(=O)C1(N)CCC1
InChIInChI=1S/C12H18N2O2/c1-9(8-10-4-2-7-16-10)14-11(15)12(13)5-3-6-12/h2,4,7,9H,3,5-6,8,13H2,1H3,(H,14,15)
InChIKeyPZBGOHCVMGZFSL-UHFFFAOYSA-N
XLogP1.21
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096088
1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide
CID 61461953
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 114990407
1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119298802
1-amino-N-[(1R)-1-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 81400423
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
2-(azetidin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 64617974
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-cycloheptyl-N'-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084182
1-cyano-N-[4-(furan-2-yl)butan-2-yl]cyclopentane-1-carboxamide
CID 60717527
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide (CID 81179466) is 1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide is CC(Cc1ccco1)NC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide?
The InChIKey is PZBGOHCVMGZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(8-10-4-2-7-16-10)14-11(15)12(13)5-3-6-12/h2,4,7,9H,3,5-6,8,13H2,1H3,(H,14,15).
What are the key properties of 1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide?
1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81179466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).