2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide

C16H21N7O3 — CID 69353849

IUPAC2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide
SMILESCc1cc(NC(=O)C(N)CCc2nn[nH]n2)ccc1N1CCOCC1=O
InChIInChI=1S/C16H21N7O3/c1-10-8-11(2-4-13(10)23-6-7-26-9-15(23)24)18-16(25)12(17)3-5-14-19-21-22-20-14/h2,4,8,12H,3,5-7,9,17H2,1H3,(H,18,25)(H,19,20,21,22)
InChIKeyGYPDYADYUHGDPC-UHFFFAOYSA-N
MW359.39 g/mol
LogP-0.23
Rot. Bonds6

About 2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide

2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide (PubChem CID 69353849) has the molecular formula C16H21N7O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide
PubChem CID69353849
Molecular FormulaC16H21N7O3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide
SMILESCc1cc(NC(=O)C(N)CCc2nn[nH]n2)ccc1N1CCOCC1=O
InChIInChI=1S/C16H21N7O3/c1-10-8-11(2-4-13(10)23-6-7-26-9-15(23)24)18-16(25)12(17)3-5-14-19-21-22-20-14/h2,4,8,12H,3,5-7,9,17H2,1H3,(H,18,25)(H,19,20,21,22)
InChIKeyGYPDYADYUHGDPC-UHFFFAOYSA-N
XLogP-0.23
TPSA139.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide
CID 87236086
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide
CID 77168320
(2R)-2-[(4-ethynylphenyl)carbamoylamino]-3-methoxy-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 10253222
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-2-phenylpropanamide
CID 69467024
tert-butyl (2R)-2-[amino(methoxy)methyl]-2-methyl-3-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropanoate
CID 69052951
tert-butyl N-[(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-4-oxobutyl]carbamate
CID 68883502
3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 66593247
N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide
CID 11511934
tert-butyl N-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]carbamate
CID 68884023
(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869026
4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide
CID 68883498

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide?
The IUPAC name of 2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide (CID 69353849) is 2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide.
What is the SMILES notation for 2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide?
The canonical SMILES for 2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide is Cc1cc(NC(=O)C(N)CCc2nn[nH]n2)ccc1N1CCOCC1=O.
What is the InChIKey of 2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide?
The InChIKey is GYPDYADYUHGDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O3/c1-10-8-11(2-4-13(10)23-6-7-26-9-15(23)24)18-16(25)12(17)3-5-14-19-21-22-20-14/h2,4,8,12H,3,5-7,9,17H2,1H3,(H,18,25)(H,19,20,21,22).
What are the key properties of 2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide?
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide has a molecular weight of 359.39 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide is sourced from PubChem (CID 69353849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).