N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide

C12H21N5O — CID 124741455

IUPACN-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)N[C@@H](C)c1nnnn1C1CC1
InChIInChI=1S/C12H21N5O/c1-4-9(5-2)12(18)13-8(3)11-14-15-16-17(11)10-6-7-10/h8-10H,4-7H2,1-3H3,(H,13,18)/t8-/m0/s1
InChIKeyWIIUXWOUMULDRP-QMMMGPOBSA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds6

About N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide

N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide (PubChem CID 124741455) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide
PubChem CID124741455
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)N[C@@H](C)c1nnnn1C1CC1
InChIInChI=1S/C12H21N5O/c1-4-9(5-2)12(18)13-8(3)11-14-15-16-17(11)10-6-7-10/h8-10H,4-7H2,1-3H3,(H,13,18)/t8-/m0/s1
InChIKeyWIIUXWOUMULDRP-QMMMGPOBSA-N
XLogP1.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide (CID 124741455) is N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)N[C@@H](C)c1nnnn1C1CC1.
What is the InChIKey of N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide?
The InChIKey is WIIUXWOUMULDRP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-9(5-2)12(18)13-8(3)11-14-15-16-17(11)10-6-7-10/h8-10H,4-7H2,1-3H3,(H,13,18)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide?
N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 124741455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).