N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide

C15H23N3O3 — CID 103017682

IUPACN-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)N(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H23N3O3/c1-15(2,21-3)8-14(20)18(10-13(17)19)9-11-4-6-12(16)7-5-11/h4-7H,8-10,16H2,1-3H3,(H2,17,19)
InChIKeyYCQVVTDCKDPFEA-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.90
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide

N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide (PubChem CID 103017682) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide
PubChem CID103017682
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)N(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H23N3O3/c1-15(2,21-3)8-14(20)18(10-13(17)19)9-11-4-6-12(16)7-5-11/h4-7H,8-10,16H2,1-3H3,(H2,17,19)
InChIKeyYCQVVTDCKDPFEA-UHFFFAOYSA-N
XLogP0.90
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide
CID 43461046
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea
CID 139577324
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
4-(2-methoxy-2-methylpropyl)aniline
CID 91618890
N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601790
N-(4-aminophenyl)-3-methoxy-3-methylbutanamide
CID 103017558
methyl 2-[(3-amino-3-methylbutanoyl)-benzylamino]acetate
CID 64676721
3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
CID 106112171
N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide
CID 103017349
2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103017877
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide (CID 103017682) is N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)N(CC(N)=O)Cc1ccc(N)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide?
The InChIKey is YCQVVTDCKDPFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,21-3)8-14(20)18(10-13(17)19)9-11-4-6-12(16)7-5-11/h4-7H,8-10,16H2,1-3H3,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide?
N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide has a molecular weight of 293.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103017682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).