2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide

C14H22N4O2 — CID 57406196

IUPAC2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
SMILESCc1cccc(C)c1OCC(C)NC(=O)CN=C(N)N
InChIInChI=1S/C14H22N4O2/c1-9-5-4-6-10(2)13(9)20-8-11(3)18-12(19)7-17-14(15)16/h4-6,11H,7-8H2,1-3H3,(H,18,19)(H4,15,16,17)
InChIKeyMHUQAPXOQXLEHL-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.46
Rot. Bonds6

About 2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide

2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide (PubChem CID 57406196) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
PubChem CID57406196
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
SMILESCc1cccc(C)c1OCC(C)NC(=O)CN=C(N)N
InChIInChI=1S/C14H22N4O2/c1-9-5-4-6-10(2)13(9)20-8-11(3)18-12(19)7-17-14(15)16/h4-6,11H,7-8H2,1-3H3,(H,18,19)(H4,15,16,17)
InChIKeyMHUQAPXOQXLEHL-UHFFFAOYSA-N
XLogP0.46
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide
CID 102200968
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
[2-[1-(2,6-dimethylphenoxy)propan-2-ylamino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3867912
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905
acetic acid;(2S)-2-amino-3-(carbamoylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]propanamide;sulfane
CID 158254167
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3391401
3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119745976
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70740526

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide (CID 57406196) is 2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide is Cc1cccc(C)c1OCC(C)NC(=O)CN=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide?
The InChIKey is MHUQAPXOQXLEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-5-4-6-10(2)13(9)20-8-11(3)18-12(19)7-17-14(15)16/h4-6,11H,7-8H2,1-3H3,(H,18,19)(H4,15,16,17).
What are the key properties of 2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide?
2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 57406196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).