N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide

C16H28N4O3 — CID 22252017

IUPACN-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide
SMILESCCC(C)NC(=O)CN(C(=O)CNC1CC1)C(=O)CNC1CC1
InChIInChI=1S/C16H28N4O3/c1-3-11(2)19-14(21)10-20(15(22)8-17-12-4-5-12)16(23)9-18-13-6-7-13/h11-13,17-18H,3-10H2,1-2H3,(H,19,21)
InChIKeyUQTIXSVYFHDQGA-UHFFFAOYSA-N
MW324.43 g/mol
LogP-0.24
Rot. Bonds10

About N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide

N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide (PubChem CID 22252017) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide.

Molecular Properties

Compound NameN-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide
PubChem CID22252017
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide
SMILESCCC(C)NC(=O)CN(C(=O)CNC1CC1)C(=O)CNC1CC1
InChIInChI=1S/C16H28N4O3/c1-3-11(2)19-14(21)10-20(15(22)8-17-12-4-5-12)16(23)9-18-13-6-7-13/h11-13,17-18H,3-10H2,1-2H3,(H,19,21)
InChIKeyUQTIXSVYFHDQGA-UHFFFAOYSA-N
XLogP-0.24
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551708
3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid
CID 61160049
2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
CID 61162023
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
2-(cyclopropylamino)-N-(2-methylpentan-3-yl)acetamide
CID 61470431
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821960
N,N-diethyl-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 112695082
N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471067
1-butan-2-yl-3-cyclopropylurea
CID 45366532
N-butan-2-yl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300316
2-(cycloheptylamino)-N-pentan-2-ylacetamide
CID 60688089

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide?
The IUPAC name of N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide (CID 22252017) is N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide.
What is the SMILES notation for N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide?
The canonical SMILES for N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide is CCC(C)NC(=O)CN(C(=O)CNC1CC1)C(=O)CNC1CC1.
What is the InChIKey of N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide?
The InChIKey is UQTIXSVYFHDQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-3-11(2)19-14(21)10-20(15(22)8-17-12-4-5-12)16(23)9-18-13-6-7-13/h11-13,17-18H,3-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide?
N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide has a molecular weight of 324.43 g/mol, XLogP of -0.24, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide is sourced from PubChem (CID 22252017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).