N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide

C20H29FN6O — CID 119619312

IUPACN-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C20H29FN6O/c1-15-24-25-26-27(15)19(14-16-8-10-17(21)11-9-16)20(28)23-13-12-22-18-6-4-2-3-5-7-18/h8-11,18-19,22H,2-7,12-14H2,1H3,(H,23,28)
InChIKeyYMQMWJXOCDMMOO-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.33
Rot. Bonds8

About N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide

N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide (PubChem CID 119619312) has the molecular formula C20H29FN6O and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
PubChem CID119619312
Molecular FormulaC20H29FN6O
Molecular Weight388.49 g/mol
Exact Mass388.24
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C20H29FN6O/c1-15-24-25-26-27(15)19(14-16-8-10-17(21)11-9-16)20(28)23-13-12-22-18-6-4-2-3-5-7-18/h8-11,18-19,22H,2-7,12-14H2,1H3,(H,23,28)
InChIKeyYMQMWJXOCDMMOO-UHFFFAOYSA-N
XLogP2.33
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386064
3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 111464206
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 86994053
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55990581
4-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542576
2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244757
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55777030
N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86970829
3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
CID 120575920
2-[1-[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 47041597
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]propan-1-one
CID 78881731

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide (CID 119619312) is N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is YMQMWJXOCDMMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN6O/c1-15-24-25-26-27(15)19(14-16-8-10-17(21)11-9-16)20(28)23-13-12-22-18-6-4-2-3-5-7-18/h8-11,18-19,22H,2-7,12-14H2,1H3,(H,23,28).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 119619312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).