N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

C16H24N6O — CID 119505106

IUPACN-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCCNCCNC(=O)C(C(C)C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H24N6O/c1-4-17-10-11-18-16(23)14(12(2)3)22-20-15(19-21-22)13-8-6-5-7-9-13/h5-9,12,14,17H,4,10-11H2,1-3H3,(H,18,23)
InChIKeyPZQVSLFCQLQUTH-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.26
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 119505106) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
PubChem CID119505106
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCCNCCNC(=O)C(C(C)C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H24N6O/c1-4-17-10-11-18-16(23)14(12(2)3)22-20-15(19-21-22)13-8-6-5-7-9-13/h5-9,12,14,17H,4,10-11H2,1-3H3,(H,18,23)
InChIKeyPZQVSLFCQLQUTH-UHFFFAOYSA-N
XLogP1.26
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.26
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

N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 111333121
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide
CID 60567231
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119644614
(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
CID 97319224
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623
3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
CID 119386255
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 86908769
2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
CID 119346239
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide (CID 119505106) is N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide is CCNCCNC(=O)C(C(C)C)n1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is PZQVSLFCQLQUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-4-17-10-11-18-16(23)14(12(2)3)22-20-15(19-21-22)13-8-6-5-7-9-13/h5-9,12,14,17H,4,10-11H2,1-3H3,(H,18,23).
What are the key properties of N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 316.41 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 119505106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).