N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide

C21H20N2O — CID 156881420

IUPACN-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(ccn2Cc2cccc(C3CC3)c2)c1
InChIInChI=1S/C21H20N2O/c1-2-21(24)22-19-8-9-20-18(13-19)10-11-23(20)14-15-4-3-5-17(12-15)16-6-7-16/h2-5,8-13,16H,1,6-7,14H2,(H,22,24)
InChIKeyUONBRLLCNPKHFP-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.69
Rot. Bonds5

About N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide

N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide (PubChem CID 156881420) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide
PubChem CID156881420
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(ccn2Cc2cccc(C3CC3)c2)c1
InChIInChI=1S/C21H20N2O/c1-2-21(24)22-19-8-9-20-18(13-19)10-11-23(20)14-15-4-3-5-17(12-15)16-6-7-16/h2-5,8-13,16H,1,6-7,14H2,(H,22,24)
InChIKeyUONBRLLCNPKHFP-UHFFFAOYSA-N
XLogP4.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(3-methylsulfonylphenyl)methyl]indol-5-yl]prop-2-enamide
CID 156881383
2-[(1-benzylindol-5-yl)amino]-5-cyclopentylbenzoic acid
CID 90153225
5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152618
5-cyclopropyl-2-[[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]indol-5-yl]amino]benzoic acid
CID 90152573
N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide
CID 156881349
2-(3-cyclopropylphenyl)-N-(4-methoxyphenyl)acetamide
CID 166236800
5-(prop-2-enoylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-3-carboxylic acid
CID 174226668
N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166405289
1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine
CID 142726467
4-[(5-acetamidoindol-1-yl)methyl]benzamide
CID 71812129
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
methyl 5-cyclopropyl-2-[[1-[(4-piperidin-1-ylphenyl)methyl]indol-5-yl]amino]benzoate
CID 90152634

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide?
The IUPAC name of N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide (CID 156881420) is N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide?
The canonical SMILES for N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(ccn2Cc2cccc(C3CC3)c2)c1.
What is the InChIKey of N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide?
The InChIKey is UONBRLLCNPKHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-2-21(24)22-19-8-9-20-18(13-19)10-11-23(20)14-15-4-3-5-17(12-15)16-6-7-16/h2-5,8-13,16H,1,6-7,14H2,(H,22,24).
What are the key properties of N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide?
N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide has a molecular weight of 316.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide is sourced from PubChem (CID 156881420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).