N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide

C21H38N8O5 — CID 160746617

IUPACN-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide
SMILESCCC(=O)N(CC)CC#N.CCC(=O)N(CC)CC(=O)O.CCC(=O)N(CC)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O.C7H12N2O.C7H13NO3/c1-3-7(13)12(4-2)5-6-8-10-11-9-6;1-3-7(10)9(4-2)6-5-8;1-3-6(9)8(4-2)5-7(10)11/h3-5H2,1-2H3,(H,8,9,10,11);3-4,6H2,1-2H3;3-5H2,1-2H3,(H,10,11)
InChIKeyRWGPSFZZMLPJMC-UHFFFAOYSA-N
MW482.59 g/mol
LogP1.06
Rot. Bonds11

About N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide

N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide (PubChem CID 160746617) has the molecular formula C21H38N8O5 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide
PubChem CID160746617
Molecular FormulaC21H38N8O5
Molecular Weight482.59 g/mol
Exact Mass482.30
IUPAC NameN-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide
SMILESCCC(=O)N(CC)CC#N.CCC(=O)N(CC)CC(=O)O.CCC(=O)N(CC)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O.C7H12N2O.C7H13NO3/c1-3-7(13)12(4-2)5-6-8-10-11-9-6;1-3-7(10)9(4-2)6-5-8;1-3-6(9)8(4-2)5-7(10)11/h3-5H2,1-2H3,(H,8,9,10,11);3-4,6H2,1-2H3;3-5H2,1-2H3,(H,10,11)
InChIKeyRWGPSFZZMLPJMC-UHFFFAOYSA-N
XLogP1.06
TPSA176.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
CID 110498043
2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid
CID 63645154
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
N,N-diethylpropanamide;propane;propanenitrile
CID 157233507
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
N-(cyanomethyl)-N-ethylacetamide
CID 14023628
N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 94689354
N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498051
2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
N,N-bis(cyanomethyl)-2-ethoxyacetamide
CID 4187434
N-(cyanomethyl)-N-ethyl-2-methylsulfonylacetamide
CID 62046057
N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide
CID 103020145

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The IUPAC name of N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide (CID 160746617) is N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The canonical SMILES for N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide is CCC(=O)N(CC)CC#N.CCC(=O)N(CC)CC(=O)O.CCC(=O)N(CC)Cc1nn[nH]n1.
What is the InChIKey of N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The InChIKey is RWGPSFZZMLPJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O.C7H12N2O.C7H13NO3/c1-3-7(13)12(4-2)5-6-8-10-11-9-6;1-3-7(10)9(4-2)6-5-8;1-3-6(9)8(4-2)5-7(10)11/h3-5H2,1-2H3,(H,8,9,10,11);3-4,6H2,1-2H3;3-5H2,1-2H3,(H,10,11).
What are the key properties of N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide has a molecular weight of 482.59 g/mol, XLogP of 1.06, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethylpropanamide;2-[ethyl(propanoyl)amino]acetic acid;N-ethyl-N-(2H-tetrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 160746617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).