N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide

C14H24N6O2 — CID 124730810

IUPACN-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCC(=O)N[C@H](C)c1nnnn1C1CC1
InChIInChI=1S/C14H24N6O2/c1-9(2)8-13(22)15-7-6-12(21)16-10(3)14-17-18-19-20(14)11-4-5-11/h9-11H,4-8H2,1-3H3,(H,15,22)(H,16,21)/t10-/m1/s1
InChIKeyIAKKDDHODPMTDB-SNVBAGLBSA-N
MW308.39 g/mol
LogP0.74
Rot. Bonds8

About N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide

N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide (PubChem CID 124730810) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide
PubChem CID124730810
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC NameN-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCC(=O)N[C@H](C)c1nnnn1C1CC1
InChIInChI=1S/C14H24N6O2/c1-9(2)8-13(22)15-7-6-12(21)16-10(3)14-17-18-19-20(14)11-4-5-11/h9-11H,4-8H2,1-3H3,(H,15,22)(H,16,21)/t10-/m1/s1
InChIKeyIAKKDDHODPMTDB-SNVBAGLBSA-N
XLogP0.74
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 124841571
N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide
CID 86807912
3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea
CID 124730383
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
2-methyl-N-[1-[1-(1-oxothian-4-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086907
N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085850
N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124744204
1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-[(1R)-1-(2,3-difluorophenyl)ethyl]urea
CID 99828922
5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 124726467
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
N-[1-[1-(3-methylsulfanylcyclopentyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 114122719

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide?
The IUPAC name of N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide (CID 124730810) is N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide is CC(C)CC(=O)NCCC(=O)N[C@H](C)c1nnnn1C1CC1.
What is the InChIKey of N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide?
The InChIKey is IAKKDDHODPMTDB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-9(2)8-13(22)15-7-6-12(21)16-10(3)14-17-18-19-20(14)11-4-5-11/h9-11H,4-8H2,1-3H3,(H,15,22)(H,16,21)/t10-/m1/s1.
What are the key properties of N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide?
N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide has a molecular weight of 308.39 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide is sourced from PubChem (CID 124730810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).