N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide

C9H17ClN2O2 — CID 115879856

IUPACN-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
SMILESCC(NC(=O)CCl)C(=O)NC(C)(C)C
InChIInChI=1S/C9H17ClN2O2/c1-6(11-7(13)5-10)8(14)12-9(2,3)4/h6H,5H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyRQDGEVHKCXVUJW-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.64
Rot. Bonds3

About N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide

N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide (PubChem CID 115879856) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
PubChem CID115879856
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC NameN-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
SMILESCC(NC(=O)CCl)C(=O)NC(C)(C)C
InChIInChI=1S/C9H17ClN2O2/c1-6(11-7(13)5-10)8(14)12-9(2,3)4/h6H,5H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyRQDGEVHKCXVUJW-UHFFFAOYSA-N
XLogP0.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide
CID 112703978
2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide
CID 112701701
2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
CID 119748180
2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 115597377
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide
CID 113407731
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43214867
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
CID 47152929
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-tert-butyl-2-(butylcarbamothioylamino)propanamide
CID 116509924
(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
CID 112735424
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide (CID 115879856) is N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide is CC(NC(=O)CCl)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide?
The InChIKey is RQDGEVHKCXVUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2/c1-6(11-7(13)5-10)8(14)12-9(2,3)4/h6H,5H2,1-4H3,(H,11,13)(H,12,14).
What are the key properties of N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide?
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide has a molecular weight of 220.70 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide is sourced from PubChem (CID 115879856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).