N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide

C12H25N3O2 — CID 129310334

IUPACN-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide
SMILESCN(NC(C)(C)C)C(=O)CN(C=O)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-11(2,3)13-14(7)10(17)8-15(9-16)12(4,5)6/h9,13H,8H2,1-7H3
InChIKeyYNNODMXETHTYSZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.00
Rot. Bonds4

About N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide

N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide (PubChem CID 129310334) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide
PubChem CID129310334
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide
SMILESCN(NC(C)(C)C)C(=O)CN(C=O)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-11(2,3)13-14(7)10(17)8-15(9-16)12(4,5)6/h9,13H,8H2,1-7H3
InChIKeyYNNODMXETHTYSZ-UHFFFAOYSA-N
XLogP1.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-N-(2-hydroxyethyl)formamide
CID 19694745
N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride
CID 174891274
2-[formyl(methyl)amino]acetic acid;hydrochloride
CID 141101166
(E)-5-[tert-butyl(methyl)amino]pent-3-en-2-one;ethane
CID 177230632
2-[3-aminopropanoyl(tert-butyl)amino]acetic acid
CID 79268862
acetic acid;N,N-dimethylformamide;ethanol
CID 88751459
ethyl (4S)-4-[[2-[[(tert-butylamino)-methylcarbamoyl]amino]acetyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 123488241
N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119691966
N,N,3,3-tetramethylpent-4-enamide
CID 13020109
N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide
CID 15555425
3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 154708185
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60936943

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide?
The IUPAC name of N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide (CID 129310334) is N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide.
What is the SMILES notation for N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide?
The canonical SMILES for N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide is CN(NC(C)(C)C)C(=O)CN(C=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide?
The InChIKey is YNNODMXETHTYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2,3)13-14(7)10(17)8-15(9-16)12(4,5)6/h9,13H,8H2,1-7H3.
What are the key properties of N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide?
N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide has a molecular weight of 243.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[(tert-butylamino)-methylamino]-2-oxoethyl]formamide is sourced from PubChem (CID 129310334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).