N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide

C18H33N7O2 — CID 31016554

IUPACN-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCCN(CCN1CCCC1)C(=O)CCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C18H33N7O2/c1-2-24(11-10-22-7-3-4-8-22)18(26)6-5-9-25-17(19-20-21-25)16-23-12-14-27-15-13-23/h2-16H2,1H3
InChIKeyNVELEAQNKNUHCQ-UHFFFAOYSA-N
MW379.51 g/mol
LogP0.23
Rot. Bonds10

About N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide

N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 31016554) has the molecular formula C18H33N7O2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide
PubChem CID31016554
Molecular FormulaC18H33N7O2
Molecular Weight379.51 g/mol
Exact Mass379.27
IUPAC NameN-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCCN(CCN1CCCC1)C(=O)CCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C18H33N7O2/c1-2-24(11-10-22-7-3-4-8-22)18(26)6-5-9-25-17(19-20-21-25)16-23-12-14-27-15-13-23/h2-16H2,1H3
InChIKeyNVELEAQNKNUHCQ-UHFFFAOYSA-N
XLogP0.23
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-({1-[4-oxo-4-(3-propoxy-1-piperidinyl)butyl]-1H-tetrazol-5-yl}methyl)morpholine
CID 24791236
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide
CID 24793941
5-(1-Butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 53300810
N,N-diethyl-1-{3-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]propanoyl}-3-pyrrolidinamine
CID 24791608
(3S*)-1-isobutyl-3-methyl-4-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-2-piperazinone
CID 28134259
N-[2-(diethylamino)ethyl]-N-ethyl-2-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]acetamide
CID 25395883
(3S*)-1-ethyl-3-methyl-4-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-2-piperazinone
CID 28390709
2-(5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)-N-methyl-N-[3-(1-pyrrolidinyl)propyl]acetamide
CID 28767216
N-isopropyl-N-(2-methoxyethyl)-2-[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetamide
CID 42527483
1-[(1-{4-[3-(methoxymethyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]-4-methylpiperidine
CID 45180139
Sdccgsbi-0117090.P001
CID 45215928
N,N-diethyl-1-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-3-pyrrolidinamine
CID 45216481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide (CID 31016554) is N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide is CCN(CCN1CCCC1)C(=O)CCCn1nnnc1CN1CCOCC1.
What is the InChIKey of N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is NVELEAQNKNUHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O2/c1-2-24(11-10-22-7-3-4-8-22)18(26)6-5-9-25-17(19-20-21-25)16-23-12-14-27-15-13-23/h2-16H2,1H3.
What are the key properties of N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide?
N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 379.51 g/mol, XLogP of 0.23, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 31016554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).