N-bis(tert-butylamino)phosphoryl-2-chloroacetamide

C10H23ClN3O2P — CID 139082312

IUPACN-bis(tert-butylamino)phosphoryl-2-chloroacetamide
SMILESCC(C)(C)NP(=O)(NC(=O)CCl)NC(C)(C)C
InChIInChI=1S/C10H23ClN3O2P/c1-9(2,3)13-17(16,12-8(15)7-11)14-10(4,5)6/h7H2,1-6H3,(H3,12,13,14,15,16)
InChIKeyQCIZRAFKRMYAFH-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.23
Rot. Bonds4

About N-bis(tert-butylamino)phosphoryl-2-chloroacetamide

N-bis(tert-butylamino)phosphoryl-2-chloroacetamide (PubChem CID 139082312) has the molecular formula C10H23ClN3O2P and a molecular weight of 283.74 g/mol. Its IUPAC name is N-bis(tert-butylamino)phosphoryl-2-chloroacetamide.

Molecular Properties

Compound NameN-bis(tert-butylamino)phosphoryl-2-chloroacetamide
PubChem CID139082312
Molecular FormulaC10H23ClN3O2P
Molecular Weight283.74 g/mol
Exact Mass283.12
IUPAC NameN-bis(tert-butylamino)phosphoryl-2-chloroacetamide
SMILESCC(C)(C)NP(=O)(NC(=O)CCl)NC(C)(C)C
InChIInChI=1S/C10H23ClN3O2P/c1-9(2,3)13-17(16,12-8(15)7-11)14-10(4,5)6/h7H2,1-6H3,(H3,12,13,14,15,16)
InChIKeyQCIZRAFKRMYAFH-UHFFFAOYSA-N
XLogP2.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82720220
2-chloro-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65105534
2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide
CID 130570453
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856
2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide
CID 54049884
N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide
CID 102543607
2-chloro-N-(iodomethyl)acetamide
CID 89347854
2-chloro-N-methylacetamide;methanamine
CID 162214165
N-acetyl-2-chloroacetamide
CID 2366697
2-(tert-butylamino)ethylcarbamoylphosphonic acid
CID 154438298
1,2-dichloropropan-2-yl 2-chloroacetate
CID 71346573
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564

Frequently Asked Questions

What is the IUPAC name of N-bis(tert-butylamino)phosphoryl-2-chloroacetamide?
The IUPAC name of N-bis(tert-butylamino)phosphoryl-2-chloroacetamide (CID 139082312) is N-bis(tert-butylamino)phosphoryl-2-chloroacetamide.
What is the SMILES notation for N-bis(tert-butylamino)phosphoryl-2-chloroacetamide?
The canonical SMILES for N-bis(tert-butylamino)phosphoryl-2-chloroacetamide is CC(C)(C)NP(=O)(NC(=O)CCl)NC(C)(C)C.
What is the InChIKey of N-bis(tert-butylamino)phosphoryl-2-chloroacetamide?
The InChIKey is QCIZRAFKRMYAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClN3O2P/c1-9(2,3)13-17(16,12-8(15)7-11)14-10(4,5)6/h7H2,1-6H3,(H3,12,13,14,15,16).
What are the key properties of N-bis(tert-butylamino)phosphoryl-2-chloroacetamide?
N-bis(tert-butylamino)phosphoryl-2-chloroacetamide has a molecular weight of 283.74 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(tert-butylamino)phosphoryl-2-chloroacetamide is sourced from PubChem (CID 139082312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).