N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide

C16H24N2O — CID 54901056

IUPACN-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
SMILESCCC(C)NC(=O)CCNC1Cc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-3-12(2)18-16(19)8-9-17-15-10-13-6-4-5-7-14(13)11-15/h4-7,12,15,17H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyDOTDIHITZPHKIE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.05
Rot. Bonds6

About N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide

N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide (PubChem CID 54901056) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
PubChem CID54901056
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
SMILESCCC(C)NC(=O)CCNC1Cc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-3-12(2)18-16(19)8-9-17-15-10-13-6-4-5-7-14(13)11-15/h4-7,12,15,17H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyDOTDIHITZPHKIE-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanamide
CID 61022207
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide
CID 119165178
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
CID 24832867
N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
CID 61021464
3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711983
N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524045
3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide
CID 61021329
3-(cyclopropylamino)-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 107842751
2-(butan-2-ylamino)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 114007934
N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide
CID 61022571

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide (CID 54901056) is N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide is CCC(C)NC(=O)CCNC1Cc2ccccc2C1.
What is the InChIKey of N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide?
The InChIKey is DOTDIHITZPHKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-12(2)18-16(19)8-9-17-15-10-13-6-4-5-7-14(13)11-15/h4-7,12,15,17H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide?
N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide is sourced from PubChem (CID 54901056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).