tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate

C20H41N3O3 — CID 143464647

IUPACtert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate
SMILESCCCCCN(C(C)=O)C(N[C@H](C)CCNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C20H41N3O3/c1-9-10-11-14-23(17(5)24)18(15(2)3)22-16(4)12-13-21-19(25)26-20(6,7)8/h15-16,18,22H,9-14H2,1-8H3,(H,21,25)/t16-,18?/m1/s1
InChIKeyREZNXYSFNKSTLB-PYUWXLGESA-N
MW371.57 g/mol
LogP3.90
Rot. Bonds11

About tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate

tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate (PubChem CID 143464647) has the molecular formula C20H41N3O3 and a molecular weight of 371.57 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate
PubChem CID143464647
Molecular FormulaC20H41N3O3
Molecular Weight371.57 g/mol
Exact Mass371.31
IUPAC Nametert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate
SMILESCCCCCN(C(C)=O)C(N[C@H](C)CCNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C20H41N3O3/c1-9-10-11-14-23(17(5)24)18(15(2)3)22-16(4)12-13-21-19(25)26-20(6,7)8/h15-16,18,22H,9-14H2,1-8H3,(H,21,25)/t16-,18?/m1/s1
InChIKeyREZNXYSFNKSTLB-PYUWXLGESA-N
XLogP3.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(diheptylamino)ethyl]carbamate
CID 86645270
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
CID 81344324
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate
CID 102729851
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]octanoic acid
CID 155121101
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate
CID 62198577
(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid
CID 102076905

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate (CID 143464647) is tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate is CCCCCN(C(C)=O)C(N[C@H](C)CCNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate?
The InChIKey is REZNXYSFNKSTLB-PYUWXLGESA-N. The full InChI is InChI=1S/C20H41N3O3/c1-9-10-11-14-23(17(5)24)18(15(2)3)22-16(4)12-13-21-19(25)26-20(6,7)8/h15-16,18,22H,9-14H2,1-8H3,(H,21,25)/t16-,18?/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate?
tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate has a molecular weight of 371.57 g/mol, XLogP of 3.90, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate is sourced from PubChem (CID 143464647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).