N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide

C14H28N4O3 — CID 76921580

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C14H28N4O3/c1-6-9-18(10-11(19)17(4)5)13(20)14(7-2,8-3)12(15)16-21/h21H,6-10H2,1-5H3,(H2,15,16)
InChIKeySIWZBZVGKWOHJI-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.87
Rot. Bonds8

About N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide

N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide (PubChem CID 76921580) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
PubChem CID76921580
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C14H28N4O3/c1-6-9-18(10-11(19)17(4)5)13(20)14(7-2,8-3)12(15)16-21/h21H,6-10H2,1-5H3,(H2,15,16)
InChIKeySIWZBZVGKWOHJI-UHFFFAOYSA-N
XLogP0.87
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,2,3-trimethyl-N-propylbutanamide
CID 65270059
N-butyl-N,2-diethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920876
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597
2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
CID 83023535
N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide
CID 114292634
2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920790
3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76919969
2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide
CID 55140482
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide
CID 65264343
N-[2-(cyclopropylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76921536
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide
CID 79023216
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide (CID 76921580) is N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide is CCCN(CC(=O)N(C)C)C(=O)C(CC)(CC)C(N)=NO.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide?
The InChIKey is SIWZBZVGKWOHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-6-9-18(10-11(19)17(4)5)13(20)14(7-2,8-3)12(15)16-21/h21H,6-10H2,1-5H3,(H2,15,16).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide has a molecular weight of 300.40 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide is sourced from PubChem (CID 76921580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).